BATIFIBAN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C34H47N11O9S2
Molecular Weight	817.9388
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

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

Molecular Formula	C34H47N11O9S2
Molecular Weight	817.9388
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 07:17:24 GMT 2025` Edited by `admin` on `Wed Apr 02 07:17:24 GMT 2025`
Record UNII	7AKM76YKN5
Record Status	`FAILED`
Record Version

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Name

Type

Language

BATIFIBAN

Common Name

English

BAT 2094

Preferred Name

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 Wed Apr 02 07:17:24 GMT 2025 , Edited by admin on Wed Apr 02 07:17:24 GMT 2025

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CAS

710312-77-9

Created by admin on Wed Apr 02 07:17:24 GMT 2025 , Edited by admin on Wed Apr 02 07:17:24 GMT 2025

PRIMARY

PUBCHEM

71556891

Created by admin on Wed Apr 02 07:17:24 GMT 2025 , Edited by admin on Wed Apr 02 07:17:24 GMT 2025

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FDA UNII

7AKM76YKN5

Created by admin on Wed Apr 02 07:17:24 GMT 2025 , Edited by admin on Wed Apr 02 07:17:24 GMT 2025

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