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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H32N6O4S
Molecular Weight 548.656
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LB-30812 FREE BASE

SMILES

NC(=N)C1=CC=C(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NS(N)(=O)=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C=C1

InChI

InChIKey=BGZQUAAOKFNFJD-UKILVPOCSA-N
InChI=1S/C28H32N6O4S/c29-26(30)22-15-13-19(14-16-22)18-32-27(35)23-12-7-17-34(23)28(36)25(33-39(31,37)38)24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-11,13-16,23-25,33H,7,12,17-18H2,(H3,29,30)(H,32,35)(H2,31,37,38)/t23-,25+/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H32N6O4S
Molecular Weight 548.656
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 Sat Dec 16 11:24:29 GMT 2023
Edited
by admin
on Sat Dec 16 11:24:29 GMT 2023
Record UNII
MHF7LQ42PV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LB-30812 FREE BASE
Common Name English
L-PROLINAMIDE, N-(AMINOSULFONYL)-.BETA.-PHENYL-D-PHENYLALANYL-N-((4-(AMINOIMINOMETHYL)PHENYL)METHYL)-
Systematic Name English
(2S)-N-((4-CARBAMIMIDOYLPHENYL)METHYL)-1-((2R)-3,3-DIPHENYL-2-(SULFAMOYLAMINO)PROPANOYL)PYRROLIDINE-2-CARBOXAMIDE
Systematic Name English
Code System Code Type Description
CAS
451455-54-2
Created by admin on Sat Dec 16 11:24:29 GMT 2023 , Edited by admin on Sat Dec 16 11:24:29 GMT 2023
PRIMARY
FDA UNII
MHF7LQ42PV
Created by admin on Sat Dec 16 11:24:29 GMT 2023 , Edited by admin on Sat Dec 16 11:24:29 GMT 2023
PRIMARY
PUBCHEM
9850497
Created by admin on Sat Dec 16 11:24:29 GMT 2023 , Edited by admin on Sat Dec 16 11:24:29 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY