(-)-apratoxin A | 350791-64-9

分子结构分类

有机化合物 - 有机酸及其衍生物 - 肽模拟物

中文名称

——

中文别名

——

英文名称

(-)-apratoxin A

英文别名

apratoxin A；(2S,3S,5S,7S,10S,16S,19S,22S,25E,27S)-16-[(2S)-butan-2-yl]-7-tert-butyl-3-hydroxy-22-[(4-methoxyphenyl)methyl]-2,5,17,19,20,25-hexamethyl-8-oxa-29-thia-14,17,20,23,30-pentazatricyclo[25.2.1.010,14]triaconta-1(30),25-diene-9,15,18,21,24-pentone

CAS

350791-64-9

化学式

C₄₅H₆₉N₅O₈S

mdl

——

分子量

840.138

InChiKey

KXUJXPZXILTXDA-CKIYSKEDSA-N

BEILSTEIN

——

EINECS

——

物化性质

沸点：

993.7±65.0 °C(Predicted)
密度：

1.22±0.1 g/cm3(Predicted)

计算性质

辛醇/水分配系数(LogP)：

6.6
重原子数：

59
可旋转键数：

6
环数：

4.0
sp3杂化的碳原子比例：

0.69
拓扑面积：

183
氢给体数：

2
氢受体数：

10

SDS

SDS：fdbf0685f962dfe5a282013741c39053

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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
——	(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(E)-3-[(4S)-2-[(2S,3S,5S,7S)-3-hydroxy-5,8,8-trimethyl-7-[(2S)-pyrrolidine-2-carbonyl]oxynonan-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]-2-methylprop-2-enoyl]amino]-3-(4-methoxyphenyl)propanoyl]-methylamino]propanoyl]-methylamino]-3-methylpentanoic acid	878626-86-9	C₄₅H₇₁N₅O₉S	858.153
——	(2S,3S)-2-[[(2S)-2-[[(2S)-3-(4-methoxyphenyl)-2-[[(E)-2-methyl-3-[(4S)-2-[(2S,3S,5R,7S)-5,8,8-trimethyl-7-[(2S)-pyrrolidine-2-carbonyl]oxy-3-triethylsilyloxynonan-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]prop-2-enoyl]amino]propanoyl]-methylamino]propanoyl]-methylamino]-3-methylpentanoic acid	582321-87-7	C₅₁H₈₅N₅O₉SSi	972.415
——	1-O-tert-butyl 2-O-[(3S,5R,7S,8S)-8-[(4S)-4-[(E)-3-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]-methylamino]-1-oxopropan-2-yl]-methylamino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-2-methyl-3-oxoprop-1-enyl]-4,5-dihydro-1,3-thiazol-2-yl]-2,2,5-trimethyl-7-triethylsilyloxynonan-3-yl] (2S)-pyrrolidine-1,2-dicarboxylate	582321-85-5	C₅₇H₉₅N₅O₁₁SSi	1086.56
——	1-[(9H-fluoren-9-yl)methyl] 2-[(3S,5S,7S,8S)-8-({S}-4-{[5S,8S,11S,E]-11-[(S)-sec-butyl]-5-[4-methoxybenzyl]-2,7,8,10-tetramethyl-3,6,9,12-tetraoxo-13-oxa-4,7,10-triazahexadeca-1,15-dien-1-yl}-4,5-dihydrothiazol-2-yl)-7-hydroxy-2,2,5-trimethylnonan-3-yl] (S)-pyrrolidine-1,2-dicarboxylate	878626-85-8	C₆₃H₈₅N₅O₁₁S	1120.46
——	2-O-[(3S,5R,7S,8S)-9-[(E,2S)-2-azido-5-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]-methylamino]-1-oxopropan-2-yl]-methylamino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-4-methyl-5-oxopent-3-enyl]sulfanyl-2,2,5,8-tetramethyl-9-oxo-7-triethylsilyloxynonan-3-yl] 1-O-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate	582321-66-2	C₅₇H₉₅N₇O₁₂SSi	1130.57
——	2-O-[(3S,5R,7S,8S)-9-[(E,2S)-2-azido-5-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]-methylamino]-1-oxopropan-2-yl]-methylamino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-4-methyl-5-oxopent-3-enyl]sulfanyl-7-[tert-butyl(dimethyl)silyl]oxy-2,2,5,8-tetramethyl-9-oxononan-3-yl] 1-O-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate	582321-84-4	C₅₇H₉₅N₇O₁₂SSi	1130.57
——	1-O-tert-butyl 2-O-[(3S,5R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-9-[(E,2R)-5-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]-methylamino]-1-oxopropan-2-yl]-methylamino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-2-[(4-methoxyphenyl)methoxy]-4-methyl-5-oxopent-3-enyl]sulfanyl-2,2,5,8-tetramethyl-9-oxononan-3-yl] (2S)-pyrrolidine-1,2-dicarboxylate	582321-82-2	C₆₅H₁₀₄N₄O₁₄SSi	1225.71
——	(2S,3S)-2-[((S)-2-{[(S)-2-[(E)-(R)-5-Mercapto-4-(4-methoxy-benzyloxy)-2-methyl-pent-2-enoylamino]-3-(4-methoxy-phenyl)-propionyl]-methyl-amino}-propionyl)-methyl-amino]-3-methyl-pentanoic acid methyl ester	582321-67-3	C₃₆H₅₁N₃O₈S	685.882
——	(2S,3S)-2-[((S)-2-{[(S)-2-[(E)-(R)-5-(tert-Butyl-dimethyl-silanyloxy)-4-(4-methoxy-benzyloxy)-2-methyl-pent-2-enoylamino]-3-(4-methoxy-phenyl)-propionyl]-methyl-amino}-propionyl)-methyl-amino]-3-methyl-pentanoic acid methyl ester	582321-79-7	C₄₂H₆₅N₃O₉Si	784.078
——	(S)-Pyrrolidine-1,2-dicarboxylic acid 2-[(1S,3S,5S,6S)-6-[(S)-4-((E)-2-allyloxycarbonyl-propenyl)-4,5-dihydro-thiazol-2-yl]-1-tert-butyl-3-methyl-5-(2,2,2-trichloro-ethoxycarbonyloxy)-heptyl] ester 1-(9H-fluoren-9-ylmethyl) ester	878626-82-5	C₄₅H₅₅Cl₃N₂O₉S	906.365
——	(E)-3-((S)-2-{(2S,3S,5S,7S)-7-[({[(9H-fluoren-9-yl)methoxy]carbonyl}-L-prolyl)oxy]-3-hydroxy-5,8,8-trimethylnonan-2-yl}-4,5-dihydrothiazol-4-yl)-2-methylacrylic acid	878626-68-7	C₃₉H₅₀N₂O₇S	690.901
——	1-[(9H-fluoren-9-yl)methyl] 2-({3S,5S,7S,8S}-8-{(S)-4-[(E)-3-(allyloxy)-2-methyl-3-oxoprop-1-en-1-yl]-4,5-dihydrothiazol-2-yl}-7-hydroxy-2,2,5-trimethylnonan-3-yl) (S)-pyrrolidine-1,2-dicarboxylate	878626-84-7	C₄₂H₅₄N₂O₇S	730.966
——	allyl N-[(S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(4-methoxyphenyl)-propanoyl]-N-methyl-L-alanyl-N-methyl-L-isoleucinate	878626-70-1	C₃₉H₄₇N₃O₇	669.818
——	(2S,3S)-2-[((S)-2-{[(S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3-(4-methoxy-phenyl)-propionyl]-me