N2'-(4-((3-CARBOXYPROPYL)DITHIO)-4-METHYL-1-OXOPENTYL)-N2'-DEACETYLMAYTANSINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C42H60ClN3O12S2
Molecular Weight	898.522
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N2'-(4-((3-CARBOXYPROPYL)DITHIO)-4-METHYL-1-OXOPENTYL)-N2'-DEACETYLMAYTANSINE

Structure Search

SMILES

CO[C@@H]1\C=C\C=C(C)\CC2=CC(N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSCCCC(O)=O)[C@]3(C)O[C@H]3[C@H](C)[C@@H]4C[C@@]1(O)NC(=O)O4)=C(Cl)C(OC)=C2

InChI

InChIKey=ORSKCTIDJPPMJJ-CYZHRDLYSA-N

InChI=1S/C42H60ClN3O12S2/c1-24-13-11-14-31(55-10)42(53)23-30(56-39(52)44-42)25(2)37-41(6,58-37)32(22-34(48)46(8)28-20-27(19-24)21-29(54-9)36(28)43)57-38(51)26(3)45(7)33(47)16-17-40(4,5)60-59-18-12-15-35(49)50/h11,13-14,20-21,25-26,30-32,37,53H,12,15-19,22-23H2,1-10H3,(H,44,52)(H,49,50)/b14-11+,24-13+/t25-,26+,30+,31-,32+,37+,41+,42+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C42H60ClN3O12S2
Molecular Weight	898.522
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:21:01 GMT 2025` Edited by `admin` on `Mon Mar 31 18:21:01 GMT 2025`
Record UNII	OX9S087G5M
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MAYTANSINE, N2'-(4-((3-CARBOXYPROPYL)DITHIO)-4-METHYL-1-OXOPENTYL)-N2'-DEACETYL-

Preferred Name

English

N2'-(4-((3-CARBOXYPROPYL)DITHIO)-4-METHYL-1-OXOPENTYL)-N2'-DEACETYLMAYTANSINE

Common Name

English

Code System Code Type Description

FDA UNII

OX9S087G5M

Created by admin on Mon Mar 31 18:21:01 GMT 2025 , Edited by admin on Mon Mar 31 18:21:01 GMT 2025

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PUBCHEM

11622082

Created by admin on Mon Mar 31 18:21:01 GMT 2025 , Edited by admin on Mon Mar 31 18:21:01 GMT 2025

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CAS

905449-84-5

Created by admin on Mon Mar 31 18:21:01 GMT 2025 , Edited by admin on Mon Mar 31 18:21:01 GMT 2025

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