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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H31N2O6P
Molecular Weight 558.5614
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CGS-25462

SMILES

OC(=O)CCNC(=O)[C@H](CC1=CC=C(C=C1)C2=CC=CC=C2)NCP(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4

InChI

InChIKey=JTQWXNZXTRVPHN-LJAQVGFWSA-N
InChI=1S/C31H31N2O6P/c34-30(35)20-21-32-31(36)29(22-24-16-18-26(19-17-24)25-10-4-1-5-11-25)33-23-40(37,38-27-12-6-2-7-13-27)39-28-14-8-3-9-15-28/h1-19,29,33H,20-23H2,(H,32,36)(H,34,35)/t29-/m0/s1

HIDE SMILES / InChI

Molecular Formula C31H31N2O6P
Molecular Weight 558.5614
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:53:49 GMT 2023
Edited
by admin
on Fri Dec 15 15:53:49 GMT 2023
Record UNII
UP2R15WBF4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CGS-25462
Code English
3-(1,1'-BIPHENYL)-4-YL-N-((DIPHENOXYPHOSPHINYL)METHYL)-L-ALANYL-.BETA.-ALANINE
Systematic Name English
.BETA.-ALANINE, 3-(1,1'-BIPHENYL)-4-YL-N-((DIPHENOXYPHOSPHINYL)METHYL)-L-ALANYL-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID10933234
Created by admin on Fri Dec 15 15:53:49 GMT 2023 , Edited by admin on Fri Dec 15 15:53:49 GMT 2023
PRIMARY
FDA UNII
UP2R15WBF4
Created by admin on Fri Dec 15 15:53:49 GMT 2023 , Edited by admin on Fri Dec 15 15:53:49 GMT 2023
PRIMARY
CAS
147862-03-1
Created by admin on Fri Dec 15 15:53:49 GMT 2023 , Edited by admin on Fri Dec 15 15:53:49 GMT 2023
PRIMARY
PUBCHEM
132812
Created by admin on Fri Dec 15 15:53:49 GMT 2023 , Edited by admin on Fri Dec 15 15:53:49 GMT 2023
PRIMARY
Related Record Type Details
METABOLITE ACTIVE -> PRODRUG