tert-butyl (3R,4S,5S)-4-[(2S)-2-[[(benzyloxy)carbonyl]amino]-N,3-dimethylbutanamido]-3-methoxy-5-methylheptanoate | 120205-52-9

分子结构分类

有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物

中文名称

——

中文别名

——

英文名称

tert-butyl (3R,4S,5S)-4-[(2S)-2-[[(benzyloxy)carbonyl]amino]-N,3-dimethylbutanamido]-3-methoxy-5-methylheptanoate

英文别名

tert-butyl (3R,4S,5S)-4-[{N-[(benzyloxy)carbonyl]-L-valyl}(methyl)amino]-3-methoxy-5-methylheptanoate；(3R,4S,5S)-tert-butyl 4-((S)-2-(((benzyloxy)carbonyl)amino)-N,3-dimethylbutanamido)-3-methoxy-5-methylheptanoate；tert-butyl (3R,4S,5S)-4-((S)-2-(((benzyloxy)carbonyl)amino)-N,3-dimethylbutanamido)-3-methoxy-5-methylheptanoate；Z-Val-Dil-OBu^t；Cbz-Val-Dil-OtBu；tert-butyl (3R,4S,5S)-4-[{N-[(benzyloxy)carbonyl]-valyl}(methyl)amino]-3-methoxy-5-methylheptanoate；tert-butyl (3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]heptanoate

tert-butyl (3R,4S,5S)-4-[(2S)-2-[[(benzyloxy)carbonyl]amino]-N,3-dimethylbutanamido]-3-methoxy-5-methylheptanoate化学式

CAS

120205-52-9

化学式

C₂₇H₄₄N₂O₆

mdl

——

分子量

492.656

InChiKey

SXCDYMWHVBJDJZ-ZXHYAQOVSA-N

BEILSTEIN

——

EINECS

——

物化性质

沸点：

601.2±55.0 °C(Predicted)
密度：

1.061±0.06 g/cm3(Predicted)

计算性质

辛醇/水分配系数(LogP)：

4.8
重原子数：

35
可旋转键数：

15
环数：

1.0
sp3杂化的碳原子比例：

0.67
拓扑面积：

94.2
氢给体数：

1
氢受体数：

6

上下游信息

上游原料

中文名称	英文名称	CAS号	化学式	分子量
(3S,4S,5S)-4-((((苄氧基)羰基)(甲基)氨基)-3-甲氧基-5-甲基庚酸叔丁	tert-Butyl (3S,4S,5S)-3-methoxy-4--5-methylheptanoate	154633-73-5	C₂₂H₃₅NO₅	393.524
——	tert-butyl (3R,4S,5S)-4-{[(benzyloxy)carbonyl](methyl)amino}-3-methoxy-5-methylheptanoate	120205-58-5	C₂₂H₃₅NO₅	393.524
——	(3R,4S,5S)-4-(Benzyloxycarbonyl-methyl-amino)-3-methoxy-5-methyl-heptanoic acid methyl ester	149664-79-9	C₁₉H₂₉NO₅	351.443
——	tert-Butyl (3S,4S,5S)-3-hydroxy-4--5-methylheptanoate	120205-57-4	C₂₁H₃₃NO₅	379.497
——	(3R,4S,5S)-4--3-methoxy-5-methylheptanoic acid	135383-56-1	C₁₈H₂₇NO₅	337.416
——	tert-butyl (3R,4S,5S)-4-[benzyl(methyl)amino]-3-methoxy-5-methyl heptanoate	——	C₂₁H₃₅NO₃	349.514

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	tert-butyl (3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanoyl]amino]heptanoate	173441-12-8	C₃₂H₅₃N₃O₇	591.789
——	Cbz-MeVal-Val-Dil-OtBu	173441-13-9	C₃₃H₅₅N₃O₇	605.816
——	(3R,4S,5S)-4-(N-((2S)-((2S)-N-benzyloxycarbonylamino-3-methylbutanoyl)-3-methylbutanoyl)-N-methylamino)-3-methoxy-5-methylheptanoic acid	716371-64-1	C₂₈H₄₅N₃O₇	535.681
——	(5S,8S,11S,12R)-11-((S)-sec-butyl)-5,8-diisopropyl-12-methoxy-4,10-dimethyl-3,6,9-trioxo-1-phenyl-2-oxa-4,7,10-triazatetradecan-14-oic acid	920017-22-7	C₂₉H₄₇N₃O₇	549.708
——	tert-butyl (3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]heptanoate	173441-14-0	C₂₄H₄₆N₂O₅	442.64
——	(3R,4S,5S)-4-{[(S)-2-(2-Dimethylamino-acetylamino)-3-methyl-butyryl]-methyl-amino}-3-methoxy-5-methyl-heptanoic acid tert-butyl ester	149606-68-8	C₂₃H₄₅N₃O₅	443.627
N,N-二甲基-L-缬氨酰-N-[(1S,2R)-4-(1,1-二甲基乙氧基)-2-甲氧基-1-	Dov-Val-Dil-OBu-t	120205-53-0	C₂₆H₅₁N₃O₅	485.708
——	tert-butyl (3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-(dimethylamino)propanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoate	149606-61-1	C₂₄H₄₇N₃O₅	457.654
——	Dov-Dil-OBu^t	173441-22-0	C₂₁H₄₂N₂O₄	386.575
——	tert-butyl (3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-hydroxy-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoate	173441-15-1	C₂₄H₄₆N₂O₆	458.639
——	tert-butyl (3R,4S,5S)-3-methoxy-5-methyl-4-[methyl(L-valyl)amino]heptanoate	177423-00-6	C₁₉H₃₈N₂O₄	358.522
——	N-[(benzyloxy)carbonyl]-N-methyl-L-threonyl-N-[(2R,3S,4S)-1-carboxy-2-methoxy-4-methylhexan-3-yl]-N-methyl-L-valinamide	——	C₂₈H₄₅N₃O₈	551.681
——	(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]heptanoic acid	1053615-81-8	C₂₀H₃₈N₂O₅	386.532
——	(3R,4S,5S)-4-[[(2S)-2-[[2-(dimethylamino)acetyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoic acid	1054613-46-5	C₁₉H₃₇N₃O₅	387.52
海兔毒素中间体	(3R,4S,5S)-4-((S)-2-((S)-2-(dimethylamino)-3-methylbutanamido)-N,3-dimethylbutanamido)-3-methoxy-5-methylheptanoic acid	133120-89-5	C₂₂H₄₃N₃O₅	429.601
——	(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-(dimethylamino)propanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoic acid	1053465-14-7	C₂₀H₃₉N₃O₅	401.547
——	(3R,4S,5S)-4-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoic acid	1054782-94-3	C₁₇H₃₄N₂O₄	330.468
——	Dov-Val-Dil-Dap-OBzl	163768-52-3	C₃₈H₆₄N₄O₇	688.949
——	tert-butyl (3R,4S,5S)-4-[(2S)-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-N,3-dimethylbutanamido]-3-methoxy-5-methylheptanoate	1375415-93-2	C₃₄H₄₈N₂O₆	580.765
——	Dov-Val-Dil-Dap	163768-53-4	C₃₁H₅₈N₄O₇	598.824
(5S,8S,11S,12R)-11-((S)-仲丁基)-1-(9H-芴-9-基)-5,8-	N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-valyl-N-[(3R,4S,5S)-1-tert-butoxy-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-L-valinamide	474645-25-5	C₄₀H₅₉N₃O₇	693.924
——	(3R,4S,5S)-4-[(2S)-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-N,3-dimethylbutanamido]-3-methoxy-5-methylheptanoic acid	1438851-41-2	C₃₀H₄₀N₂O₆	524.657
——	N-(tert-butoxycarbonyl)-N-methyl-L-valyl-N-[(3R,4S,5S)-1-{(2S)-2-[(1R,2R)-3-{[(1S)-1-carboxy-2-phenylethyl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-L-valinamide	1369427-27-9	C₄₄H₇₃N₅O₁₀	832.091
(2S)-2-[[(2S)-2-二甲基氨基-3-甲基丁酰基]氨基]-N-[(3R,4R,5S)-3-甲氧基-1-[(2S)-2-[(1R,2R)-1-甲氧基-2-甲基-3-氧代-3-(2-苯基乙基氨基)丙基]吡咯烷-1-基]-5-甲基-1-氧代庚烷-4-基]-N,3-二甲基丁酰胺	TZT-1027	149606-27-9	C₃₉H₆₇N₅O₆	701.991
(5S,9S,11S,12R)-11-((S)-仲丁基)-1-(9H-芴-9-基)-5,9-	(5S,8S,11S,12R)-11-((S)-sec-butyl)-1-(9H-fluoren-9-yl)-5,8-diisopropyl-12-methoxy-4,10-dimethyl-3,6,9-trioxo-2-oxa-4,7,10-triazatetradecan-14-oic acid	863971-44-2	C₃₆H₅₁N₃O₇	637.817
一甲基澳瑞他汀E	MMAE	474645-27-7	C₃₉H₆₇N₅O₇	717.99
——	Z-Val-Val-Dil-Dap-Doe	173441-24-2	C₄₈H₇₀N₆O₈S	891.185
——	N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-valyl-N-[(3R,4S,5S)-1-tert-butoxy-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-L-valinamide	——	C₄₀H₅₉N₃O₇	693.924
——	Z-N-Me-Val-Val-Dil-Dap-Doe	173441-25-3	C₄₉H₇₂N₆O₈S	905.212
——	methyl (S)-2-((2R,3R)-3-((S)-1-((3R,4S,5S)-4-((S)-2-amino-N,3-dimethylbutanamido)-3-methoxy-5-methylheptanoyl)pyrrolidin-2-yl)-3-methoxy-2-methylpropanamido)-3-phenylpropanoate	669074-47-9	C₃₄H₅₆N₄O₇	632.841
——	N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-valyl-N-[(2R,3S,4S)-1-carboxy-2-methoxy-4-methylhexan-3-yl]-N-methyl-L-valinamide	——	C₃₆H₅₁N₃O₇	637.817
——	(S)-N-((3R,4S,5S)-1-((S)-2-((1R,2R)-3-((4-aminophenyl)sulfonamido)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl)-2-((S)-2-(dimethylamino)-3-methylbutanamido)-N,3-dimethylbutanamide	——	C₃₇H₆₄N₆O₈S	753.017
——	methyl (S)-2-((2R,3R)-3-((S)-1-((3R,4S,5S)-4-((S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-N,3-dimethylbutanamido)-3-methoxy-5-methylheptanoyl)pyrrolidin-2-yl)-3-methoxy-2-methylpropanamido)-3-phenylpropanoate	1438852-21-1	C₄₉H₆₆N₄O₉	855.084
单甲基澳瑞他汀D	monomethyl dolastatin 10	203849-91-6	C₄₁H₆₆N₆O₆S	771.078
(S)-2-((S)-2-(二甲基氨基)-3-甲基丁酰氨基)-N-((3R,4S,5S)-3-甲氧基-1-((s)-2-((1R,2R)-1-甲氧基-2-甲基-3-氧代-3-(((S)-2-苯基-1-(噻唑-2-基）乙基)氨基)丙基)吡咯烷-1-基)-5-甲基-1-氧代庚烷-4-基)-N,3-二甲基丁酰胺	dolastatin 10	110417-88-4	C₄₂H₆₈N₆O₆S	785.105
——	(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2S)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide	130272-92-3	C₄₂H₆₈N₆O₆S	785.105
——	tert-Butyl (2S)-2-[(1R,2R)-3-{[(2S)-3,3-dimethyl-1-(1,2-oxazinan-2-yl)-1-oxobutan-2-yl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidine-1-carboxylate	1352202-01-7	C₂₄H₄₃N₃O₆	469.622
——	(S)-N-(4-(N-((2R,3R)-3-((S)-1-((3R,4S)-4-((S)-2-((S)-2-(dimethylamino)-3-methylbutanamido)-N,3-dimethylbutanamido)-3-methoxy-5-methylheptanoyl)pyrrolidin-2-yl)-3-methoxy-2-methylpropanoyl)sulfamoyl)phenyl)-2-((S)-1-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-14-isopropyl-12-oxo-3,6,9-trioxa-13-azapentadecanamido)-5-ureidopentanamide	1800462-96-7	C₆₁H₁₀₁N₁₁O₁₇S	1292.6