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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H36N6O5S
Molecular Weight 508.634
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ARGATROBAN ANHYDROUS, (21R)-

SMILES

C[C@@H]1CCN([C@H](C1)C(O)=O)C(=O)[C@H](CCCNC(N)=N)NS(=O)(=O)C2=C3NC[C@H](C)CC3=CC=C2

InChI

InChIKey=KXNPVXPOPUZYGB-XYVMCAHJSA-N
InChI=1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,15-,17+,18-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ARGATROBAN ANHYDROUS, (21R)-
Common Name English
ARGATROBAN ANHYDROUS, 21R-
Common Name English
21R-ARGATROBAN ANHYDROUS
Common Name English
2-PIPERIDINECARBOXYLIC ACID, 1-((2S)-5-((AMINOIMINOMETHYL)AMINO)-1-OXO-2-((((3R)-1,2,3,4-TETRAHYDRO-3-METHYL-8-QUINOLINYL)SULFONYL)AMINO)PENTYL)-4-METHYL-, (2R,4R)-
Common Name English
Code System Code Type Description
FDA UNII
0DW7MIH1VX
Created by admin on Fri Dec 15 15:35:28 GMT 2023 , Edited by admin on Fri Dec 15 15:35:28 GMT 2023
PRIMARY
PUBCHEM
152951
Created by admin on Fri Dec 15 15:35:28 GMT 2023 , Edited by admin on Fri Dec 15 15:35:28 GMT 2023
PRIMARY
CAS
121785-71-5
Created by admin on Fri Dec 15 15:35:28 GMT 2023 , Edited by admin on Fri Dec 15 15:35:28 GMT 2023
PRIMARY