Structure

21s-Argatroban

CAS
121785-72-6
Catalog Number
ACM121785726
Category
Other Products
Molecular Weight
508.63
Molecular Formula
C23H36N6O5S

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Specification

Synonyms
(2R,4R)-1-[(2S)-5-[(Aminoiminomethyl)amino]-1-oxo-2-[[[(3S)-1,2,3,4-tetrahydro-3-methyl-8-quinolinyl]sulfonyl]amino]pentyl]-4-methyl-2-piperidinecarboxylic Acid;
IUPAC Name
(2R,4R)-1-[5-(diaminomethylideneamino)-2-[[(3S)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid
Canonical SMILES
CC1CCN(C(C1)C(=O)O)C(=O)C(CCCN=C(N)N)NS(=O)(=O)C2=CC=CC3=C2NCC(C3)C
InChI Key
KXNPVXPOPUZYGB-HLVPYZJISA-N
Exact Mass
508.24700
H-Bond Acceptor
8
H-Bond Donor
5
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