U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C34H47N11O9S2
Molecular Weight 817.935
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BATIFIBAN

SMILES

[H][C@@]12CCCN1C(=O)[C@H](CC3=CNC4=CC=CC=C34)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CCSSC[C@H](NC2=O)C(N)=O

InChI

InChIKey=UUQHAAWMCLITRZ-KEOOTSPTSA-N
InChI=1S/C34H47N11O9S2/c35-29(50)24-17-56-55-12-9-26(46)41-21(7-3-10-38-34(36)37)30(51)40-16-27(47)42-22(14-28(48)49)31(52)43-23(13-18-15-39-20-6-2-1-5-19(18)20)33(54)45-11-4-8-25(45)32(53)44-24/h1-2,5-6,15,21-25,39H,3-4,7-14,16-17H2,(H2,35,50)(H,40,51)(H,41,46)(H,42,47)(H,43,52)(H,44,53)(H,48,49)(H4,36,37,38)/t21-,22-,23-,24-,25-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
BATIFIBAN
Common Name English
BAT 2094
Code English
CORRECTIN
Common Name English
BAT-2094
Code English
L-CYSTEINAMIDE, N2-(3-MERCAPTO-1-OXOPROPYL)-L-ARGINYLGLYCYL-L-.ALPHA.-ASPARTYL-L-TRYPTOPHYL-L-PROLYL-, CYCLIC (1->6)-DISULFIDE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID701031211
Created by admin on Sat Dec 16 16:10:35 GMT 2023 , Edited by admin on Sat Dec 16 16:10:35 GMT 2023
PRIMARY
CAS
710312-77-9
Created by admin on Sat Dec 16 16:10:35 GMT 2023 , Edited by admin on Sat Dec 16 16:10:35 GMT 2023
PRIMARY
PUBCHEM
71556891
Created by admin on Sat Dec 16 16:10:35 GMT 2023 , Edited by admin on Sat Dec 16 16:10:35 GMT 2023
PRIMARY
FDA UNII
7AKM76YKN5
Created by admin on Sat Dec 16 16:10:35 GMT 2023 , Edited by admin on Sat Dec 16 16:10:35 GMT 2023
PRIMARY