SORAVTANSINE-LYSINE

Details

Stereochemistry	EPIMERIC
Molecular Formula	C48H72ClN5O16S3
Molecular Weight	1106.757
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12O[C@@]1(C)[C@H](CC(=O)N(C)C3=C(Cl)C(OC)=CC(C\C(C)=C\C=C\[C@@H](OC)[C@@]4(O)C[C@]([H])(OC(=O)N4)[C@H]2C)=C3)OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSCCC(C(=O)NCCCC[C@H](N)C(O)=O)S(O)(=O)=O

InChI

InChIKey=GJWXRFICKTVOHO-PSJKACIBSA-N

InChI=1S/C48H72ClN5O16S3/c1-27-14-13-16-36(67-10)48(62)26-34(68-45(61)52-48)28(2)41-47(6,70-41)37(25-39(56)54(8)32-23-30(22-27)24-33(66-9)40(32)49)69-44(60)29(3)53(7)38(55)17-19-46(4,5)72-71-21-18-35(73(63,64)65)42(57)51-20-12-11-15-31(50)43(58)59/h13-14,16,23-24,28-29,31,34-37,41,62H,11-12,15,17-22,25-26,50H2,1-10H3,(H,51,57)(H,52,61)(H,58,59)(H,63,64,65)/b16-13+,27-14+/t28-,29+,31+,34+,35?,36-,37+,41+,47+,48+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C48H72ClN5O16S3
Molecular Weight	1106.757
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	9 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:27:42 UTC 2023` Edited by `admin` on `Sat Dec 16 14:27:42 UTC 2023`
Record UNII	VIX9T64XBU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SORAVTANSINE-LYSINE

Common Name

English

DM4-SULFO-SPDB-LYSINE

Common Name

English

MAYTANSINE, N2'-(4-((4-(((5S)-5-AMINO-5-CARBOXYPENTYL)AMINO)-4-OXO-3-SULFOBUTYL)DITHIO)-4-METHYL-1-OXOPENTYL)-N2'-DEACETYL-

Systematic Name

English

Code System Code Type Description

FDA UNII

VIX9T64XBU

Created by admin on Sat Dec 16 14:27:43 UTC 2023 , Edited by admin on Sat Dec 16 14:27:43 UTC 2023

PRIMARY

PUBCHEM

137321958

Created by admin on Sat Dec 16 14:27:43 UTC 2023 , Edited by admin on Sat Dec 16 14:27:43 UTC 2023

PRIMARY

CAS

1704738-03-3

Created by admin on Sat Dec 16 14:27:43 UTC 2023 , Edited by admin on Sat Dec 16 14:27:43 UTC 2023

PRIMARY

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