CYSTEINYL-MERTANSINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C38H53ClN4O12S2
Molecular Weight	857.43
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
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)CCSSC[C@H](N)C(O)=O

InChI

InChIKey=YEPQPBASPFYRGV-OONWGIQOSA-N

InChI=1S/C38H53ClN4O12S2/c1-20-10-9-11-28(52-8)38(50)18-27(53-36(49)41-38)21(2)33-37(4,55-33)29(17-31(45)43(6)25-15-23(14-20)16-26(51-7)32(25)39)54-35(48)22(3)42(5)30(44)12-13-56-57-19-24(40)34(46)47/h9-11,15-16,21-22,24,27-29,33,50H,12-14,17-19,40H2,1-8H3,(H,41,49)(H,46,47)/b11-9+,20-10+/t21-,22+,24+,27+,28-,29+,33+,37+,38+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C38H53ClN4O12S2
Molecular Weight	857.43
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:02:02 GMT 2023` Edited by `admin` on `Sat Dec 16 14:02:02 GMT 2023`
Record UNII	R4N2PA8764
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CYSTEINYL-MERTANSINE

Common Name

English

MERTANSINE CYSTEINE

Common Name

English

Code System Code Type Description

FDA UNII

R4N2PA8764

Created by admin on Sat Dec 16 14:02:02 GMT 2023 , Edited by admin on Sat Dec 16 14:02:02 GMT 2023

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PUBCHEM

137331898

Created by admin on Sat Dec 16 14:02:02 GMT 2023 , Edited by admin on Sat Dec 16 14:02:02 GMT 2023

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