CRL-42723

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H33ClN4O8S
Molecular Weight	633.112
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC(=O)C1=C(C)NC(C)=C([C@H]1C2=CC=CC(=C2)[N+]([O-])=O)C(=O)O[C@@H]3CCCN(CCNS(=O)(=O)C4=CC=C(Cl)C=C4)C3

InChI

InChIKey=KXMTZJRSRNGQDG-KCWPFWIISA-N

InChI=1S/C29H33ClN4O8S/c1-18-25(28(35)41-3)27(20-6-4-7-22(16-20)34(37)38)26(19(2)32-18)29(36)42-23-8-5-14-33(17-23)15-13-31-43(39,40)24-11-9-21(30)10-12-24/h4,6-7,9-12,16,23,27,31-32H,5,8,13-15,17H2,1-3H3/t23-,27+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C29H33ClN4O8S
Molecular Weight	633.112
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:57:46 GMT 2025` Edited by `admin` on `Mon Mar 31 21:57:46 GMT 2025`
Record UNII	KHS9X0Y838
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CRL-42723

Common Name

English

3,5-PYRIDINEDICARBOXYLIC ACID, 1,4-DIHYDRO-2,6-DIMETHYL-4-(3-NITROPHENYL)-, (3R)-1-(2-(((4-CHLOROPHENYL)SULFONYL)AMINO)ETHYL)-3-PIPERIDINYL METHYL ESTER, (4S)-

Preferred Name

English

3,5-PYRIDINEDICARBOXYLIC ACID, 1,4-DIHYDRO-2,6-DIMETHYL-4-(3-NITROPHENYL)-, 3-((3R)-1-(2-(((4-CHLOROPHENYL)SULFONYL)AMINO)ETHYL)-3-PIPERIDINYL) 5-METHYL ESTER, (4S)-

Systematic Name

English

Code System Code Type Description

FDA UNII

KHS9X0Y838

Created by admin on Mon Mar 31 21:57:46 GMT 2025 , Edited by admin on Mon Mar 31 21:57:46 GMT 2025

PRIMARY

CAS

256384-04-0

Created by admin on Mon Mar 31 21:57:46 GMT 2025 , Edited by admin on Mon Mar 31 21:57:46 GMT 2025

PRIMARY

PUBCHEM

72941782

Created by admin on Mon Mar 31 21:57:46 GMT 2025 , Edited by admin on Mon Mar 31 21:57:46 GMT 2025

PRIMARY

Related Record Type Details


					KHS9X0Y838

CRL-42723

ACTIVE MOIETY