MERTANSINE N6-LYSYL-4-SULFANYLPENTANAMIDE DISULFIDE

Details

Stereochemistry	EPIMERIC
Molecular Formula	C46H68ClN5O13S2
Molecular Weight	998.641
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of MERTANSINE N6-LYSYL-4-SULFANYLPENTANAMIDE DISULFIDE

Structure Search

SMILES

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

InChI

InChIKey=MFZSNESUTRVBQX-VHWDANQOSA-N

InChI=1S/C46H68ClN5O13S2/c1-26-13-12-15-35(62-9)46(60)25-34(63-44(59)50-46)28(3)41-45(5,65-41)36(24-39(55)52(7)32-22-30(21-26)23-33(61-8)40(32)47)64-43(58)29(4)51(6)38(54)18-20-66-67-27(2)16-17-37(53)49-19-11-10-14-31(48)42(56)57/h12-13,15,22-23,27-29,31,34-36,41,60H,10-11,14,16-21,24-25,48H2,1-9H3,(H,49,53)(H,50,59)(H,56,57)/b15-12+,26-13+/t27?,28-,29+,31+,34+,35-,36+,41-,45+,46+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C46H68ClN5O13S2
Molecular Weight	998.641
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 `Tue Apr 01 23:06:26 GMT 2025` Edited by `admin` on `Tue Apr 01 23:06:26 GMT 2025`
Record UNII	3QN0K2A6Q8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MERTANSINE N6-LYSYL-4-SULFANYLPENTANAMIDE DISULFIDE

Preferred Name

English

Code System Code Type Description

PUBCHEM

137528231

Created by admin on Tue Apr 01 23:06:26 GMT 2025 , Edited by admin on Tue Apr 01 23:06:26 GMT 2025

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FDA UNII

3QN0K2A6Q8

Created by admin on Tue Apr 01 23:06:26 GMT 2025 , Edited by admin on Tue Apr 01 23:06:26 GMT 2025

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