D-CYSTEINAMIDE, PEGLOPRASTIDE-

Details

Stereochemistry	EPIMERIC
Molecular Formula	C42H54N6O10S3
Molecular Weight	899.107
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 2
E/Z Centers	3
Charge	0

SHOW SMILES / InChI

Structure of D-CYSTEINAMIDE, PEGLOPRASTIDE-

Structure Search

SMILES

CCN1C2=CC=C(C=C2C(C)(C)\C1=C/C=C/C=C/C3=[N+](CCCCCC(=O)NCCN4C(=O)CC(SC[C@@H](N)C(N)=O)C4=O)C5=CC=C(C=C5C3(C)C)S([O-])(=O)=O)S(O)(=O)=O

InChI

InChIKey=PITPWJCGQABEPL-WXHLIJILSA-N

InChI=1S/C42H54N6O10S3/c1-6-46-32-18-16-27(60(53,54)55)23-29(32)41(2,3)35(46)13-9-7-10-14-36-42(4,5)30-24-28(61(56,57)58)17-19-33(30)47(36)21-12-8-11-15-37(49)45-20-22-48-38(50)25-34(40(48)52)59-26-31(43)39(44)51/h7,9-10,13-14,16-19,23-24,31,34H,6,8,11-12,15,20-22,25-26,43H2,1-5H3,(H4-,44,45,49,51,53,54,55,56,57,58)/t31-,34?/m1/s1

HIDE SMILES / InChI

Molecular Formula	C42H54N6O10S3
Molecular Weight	899.107
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	1 / 2
E/Z Centers	3
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 02:23:00 GMT 2025` Edited by `admin` on `Wed Apr 02 02:23:00 GMT 2025`
Record UNII	Y6M0UK0DK1
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

S-(1-(2-((6-(2-(5-(1-ETHYL-1,3-DIHYDRO-3,3-DIMETHYL-5-SULFO-2H-INDOL-2-YLIDENE)-1,3-PENTADIEN-1-YL)-3,3-DIMETHYL-5-SULFOINDOLIO)-1-OXOHEXYL)AMINO)ETHYL)-2,5-DIOXO-3-PYRROLIDINYL)-D-CYSTEINAMIDE

Preferred Name

English

D-CYSTEINAMIDE, PEGLOPRASTIDE-

Common Name

English

Code System Code Type Description

PUBCHEM

165411992

Created by admin on Wed Apr 02 02:23:01 GMT 2025 , Edited by admin on Wed Apr 02 02:23:01 GMT 2025

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FDA UNII

Y6M0UK0DK1

Created by admin on Wed Apr 02 02:23:01 GMT 2025 , Edited by admin on Wed Apr 02 02:23:01 GMT 2025

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