tert-butyl N-[(2S)-1-[[(1R,2S,13R,15R,16S)-15-cyano-21-methoxy-22-(methoxymethoxy)-6,20,24-trimethyl-5-prop-2-enoxy-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4,6,11,18(23),19,21-hexaen-13-yl]methylamino]-1-oxopropan-2-yl]carbamate | 290813-43-3

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 N-[(2S)-1-[[(1R,2S,13R,15R,16S)-15-cyano-21-methoxy-22-(methoxymethoxy)-6,20,24-trimethyl-5-prop-2-enoxy-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4,6,11,18(23),19,21-hexaen-13-yl]methylamino]-1-oxopropan-2-yl]carbamate

英文别名

——

tert-butyl N-[(2S)-1-[[(1R,2S,13R,15R,16S)-15-cyano-21-methoxy-22-(methoxymethoxy)-6,20,24-trimethyl-5-prop-2-enoxy-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4,6,11,18(23),19,21-hexaen-13-yl]methylamino]-1-oxopropan-2-yl]carbamate化学式

CAS

290813-43-3

化学式

C₃₉H₅₁N₅O₉

mdl

——

分子量

733.862

InChiKey

VEWOYVXOLLRMCX-GDDZAWJESA-N

BEILSTEIN

——

EINECS

——

物化性质

沸点：

856.9±65.0 °C(Predicted)
密度：

1.30±0.1 g/cm3(Predicted)

计算性质

辛醇/水分配系数(LogP)：

4.7
重原子数：

53
可旋转键数：

13
环数：

6.0
sp3杂化的碳原子比例：

0.56
拓扑面积：

153
氢给体数：

2
氢受体数：

12

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
——	tert-butyl N-[(2S)-1-[[(1R,2S,13R,15R,16S)-15-cyano-5-hydroxy-21-methoxy-22-(methoxymethoxy)-6,20,24-trimethyl-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4(12),5,7(11),18(23),19,21-hexaen-13-yl]methylamino]-1-oxopropan-2-yl]carbamate	290813-42-2	C₃₆H₄₇N₅O₉	693.797
——	tert-butyl ((S)-1-((((6S,7R,9R,14aS,15R)-7-cyano-11-hydroxy-2-methoxy-1-(methoxymethoxy)-3,12,16-trimethyl-10,13-dioxo-6,7,9,10,13,14,14a,15-octahydro-5H-6,15-epiminobenzo[4,5]azocino[1,2-b]isoquinolin-9-yl)methyl)amino)-1-oxopropan-2-yl)carbamate	290813-41-1	C₃₅H₄₅N₅O₉	679.77
——	tert-butyl N-[(2S)-1-[[(1R,2S,10R,12R,13S)-12-cyano-7,18-dimethoxy-19-(methoxymethoxy)-6,17,21-trimethyl-5,8-dioxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),16,18-pentaen-10-yl]methylamino]-1-oxopropan-2-yl]carbamate	308359-25-3	C₃₆H₄₇N₅O₉	693.797
——	tert-butyl N-[(2S)-1-[[(1R,2S,10R,12R,13S)-12-cyano-19-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8-dioxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),16,18-pentaen-10-yl]methylamino]-1-oxopropan-2-yl]carbamate	308359-24-2	C₃₄H₄₃N₅O₈	649.744
——	cyanosafracin B	——	C₂₉H₃₅N₅O₆	549.627

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	(2S)-2-amino-N-[[(1R,2S,13R,15R,16S)-15-cyano-22-hydroxy-21-methoxy-6,20,24-trimethyl-5-prop-2-enoxy-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4,6,11,18(23),19,21-hexaen-13-yl]methyl]propanamide	308359-26-4	C₃₂H₃₉N₅O₆	589.692
——	2,2,2-trichloroethyl N-[[(1R,2S,13R,15R,16S)-15-cyano-21-methoxy-22-(methoxymethoxy)-6,20,24-trimethyl-5-prop-2-enoxy-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4,6,11,18(23),19,21-hexaen-13-yl]methyl]carbamate	308359-29-7	C₃₄H₃₉Cl₃N₄O₈	738.065
——	(1R,2S,13R,15R,16S)-13-(aminomethyl)-21-methoxy-22-(methoxymethoxy)-6,20,24-trimethyl-5-prop-2-enoxy-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4,6,11,18(23),19,21-hexaene-15-carbonitrile	236744-08-4	C₃₁H₃₈N₄O₆	562.666
——	2,2,2-trichloroethyl N-[[(1R,2S,13R,15R,16S)-15-cyano-22-hydroxy-21-methoxy-6,20,24-trimethyl-5-prop-2-enoxy-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4,6,11,18(23),19,21-hexaen-13-yl]methyl]carbamate	308359-28-6	C₃₂H₃₅Cl₃N₄O₇	694.011
——	(1R,2S,13R,15R,16S)-13-(aminomethyl)-22-hydroxy-21-methoxy-6,20,24-trimethyl-5-prop-2-enoxy-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4,6,11,18(23),19,21-hexaene-15-carbonitrile	290813-44-4	C₂₉H₃₄N₄O₅	518.613
——	(2S)-N-[[(1R,2S,13R,15R,16S)-15-cyano-22-hydroxy-21-methoxy-6,20,24-trimethyl-5-prop-2-enoxy-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4,6,11,18(23),19,21-hexaen-13-yl]methyl]-2-(phenylcarbamothioylamino)propanamide	308359-27-5	C₃₉H₄₄N₆O₆S	724.881
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