CRL-42872

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H26N6O6S.ClH
Molecular Weight	539.004
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.NC(=N)C1=CC=C(C=C1)N2CCN(CC(=O)NC[C@H](NS(=O)(=O)C3=CC=CC=C3)C(O)=O)C(=O)C2

InChI

InChIKey=VRSAYSXUABZTBP-FERBBOLQSA-N

InChI=1S/C22H26N6O6S.ClH/c23-21(24)15-6-8-16(9-7-15)27-10-11-28(20(30)14-27)13-19(29)25-12-18(22(31)32)26-35(33,34)17-4-2-1-3-5-17;/h1-9,18,26H,10-14H2,(H3,23,24)(H,25,29)(H,31,32);1H/t18-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C22H26N6O6S
Molecular Weight	502.543
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:54:56 GMT 2025` Edited by `admin` on `Mon Mar 31 21:54:56 GMT 2025`
Record UNII	LM0959EHLA
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

CRL-42872

Common Name

English

L-ALANINE, 3-(((4-(4-(AMINOIMINOMETHYL)PHENYL)-2-OXO-1-PIPERAZINYL)ACETYL)AMINO)-N-(PHENYLSULFONYL)-, MONOHYDROCHLORIDE

Preferred Name

English

Code System Code Type Description

CAS

256385-24-7

Created by admin on Mon Mar 31 21:54:56 GMT 2025 , Edited by admin on Mon Mar 31 21:54:56 GMT 2025

PRIMARY

PUBCHEM

9958894

Created by admin on Mon Mar 31 21:54:56 GMT 2025 , Edited by admin on Mon Mar 31 21:54:56 GMT 2025

PRIMARY

FDA UNII

LM0959EHLA

Created by admin on Mon Mar 31 21:54:56 GMT 2025 , Edited by admin on Mon Mar 31 21:54:56 GMT 2025

PRIMARY

Related Record Type Details


					36JG2T37MZ

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