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Details

Stereochemistry ABSOLUTE
Molecular Formula C36H48N6O9
Molecular Weight 708.8011
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BIO-1211

SMILES

CC(C)C[C@H](NC(=O)CC1=CC=C(NC(=O)NC2=CC=CC=C2C)C=C1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N3CCC[C@H]3C(O)=O

InChI

InChIKey=NVVGCQABIHSJSQ-KFZSMJGVSA-N
InChI=1S/C36H48N6O9/c1-20(2)17-26(38-29(43)18-23-12-14-24(15-13-23)37-36(51)40-25-10-7-6-9-22(25)5)32(46)39-27(19-30(44)45)33(47)41-31(21(3)4)34(48)42-16-8-11-28(42)35(49)50/h6-7,9-10,12-15,20-21,26-28,31H,8,11,16-19H2,1-5H3,(H,38,43)(H,39,46)(H,41,47)(H,44,45)(H,49,50)(H2,37,40,51)/t26-,27-,28-,31-/m0/s1

HIDE SMILES / InChI

Molecular Formula C36H48N6O9
Molecular Weight 708.8011
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Selective, tight-binding inhibitors of integrin alpha4beta1 that inhibit allergic airway responses.
1999 Mar 11
Substance Class Chemical
Created
by admin
on Sat Dec 16 09:27:34 GMT 2023
Edited
by admin
on Sat Dec 16 09:27:34 GMT 2023
Record UNII
61G4E2353I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BIO-1211
Code English
BIO1211
Common Name English
L-PROLINE, N-(2-(4-((((2-METHYLPHENYL)AMINO)CARBONYL)AMINO)PHENYL)ACETYL)-L-LEUCYL-L-.ALPHA.-ASPARTYL-L-VALYL-
Systematic Name English
L-PROLINE, N-((4-((((2-METHYLPHENYL)AMINO)CARBONYL)AMINO)PHENYL)ACETYL)-L-LEUCYL-L-.ALPHA.-ASPARTYL-L-VALYL-
Systematic Name English
Code System Code Type Description
FDA UNII
61G4E2353I
Created by admin on Sat Dec 16 09:27:34 GMT 2023 , Edited by admin on Sat Dec 16 09:27:34 GMT 2023
PRIMARY
CAS
187735-94-0
Created by admin on Sat Dec 16 09:27:34 GMT 2023 , Edited by admin on Sat Dec 16 09:27:34 GMT 2023
PRIMARY
CAS
192390-59-3
Created by admin on Sat Dec 16 09:27:34 GMT 2023 , Edited by admin on Sat Dec 16 09:27:34 GMT 2023
SUPERSEDED
PUBCHEM
9961766
Created by admin on Sat Dec 16 09:27:34 GMT 2023 , Edited by admin on Sat Dec 16 09:27:34 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
highly selective
Related Record Type Details
ACTIVE MOIETY