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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H26N6O6S
Molecular Weight 502.543
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CRL-42872 FREE BASE

SMILES

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=YCUUATRLAVTNRY-SFHVURJKSA-N
InChI=1S/C22H26N6O6S/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)/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

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:21:41 GMT 2023
Edited
by admin
on Sat Dec 16 08:21:41 GMT 2023
Record UNII
36JG2T37MZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CRL-42872 FREE BASE
Common Name English
L-ALANINE, 3-(((4-(4-(AMINOIMINOMETHYL)PHENYL)-2-OXO-1-PIPERAZINYL)ACETYL)AMINO)-N-(PHENYLSULFONYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
36JG2T37MZ
Created by admin on Sat Dec 16 08:21:41 GMT 2023 , Edited by admin on Sat Dec 16 08:21:41 GMT 2023
PRIMARY
PUBCHEM
9806076
Created by admin on Sat Dec 16 08:21:41 GMT 2023 , Edited by admin on Sat Dec 16 08:21:41 GMT 2023
PRIMARY
CAS
256344-23-7
Created by admin on Sat Dec 16 08:21:41 GMT 2023 , Edited by admin on Sat Dec 16 08:21:41 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY