2-Piperidinecarboxylic acid, 1-[(2S)-5-[(aminoiminomethyl)amino]-2-[[(3-methyl-8-quinolinyl)sulfonyl]amino]-1-oxopentyl]-4-methyl-, (2R,4R)-
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2-Piperidinecarboxylic acid, 1-[(2S)-5-[(aminoiminomethyl)amino]-2-[[(3-methyl-8-quinolinyl)sulfonyl]amino]-1-oxopentyl]-4-methyl-, (2R,4R)-
structure -
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CAS No:
951130-92-0
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Formula:
C23H32N6O5S
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Chemical Name:
2-Piperidinecarboxylic acid, 1-[(2S)-5-[(aminoiminomethyl)amino]-2-[[(3-methyl-8-quinolinyl)sulfonyl]amino]-1-oxopentyl]-4-methyl-, (2R,4R)-
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Synonyms:
1,2,3,4-Tetrahydro Argatroban;
- Categories:
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CAS No:
2-Piperidinecarboxylic acid, 1-[(2S)-5-[(aminoiminomethyl)amino]-2-[[(3-methyl-8-quinolinyl)sulfonyl]amino]-1-oxopentyl]-4-methyl-, (2R,4R)- Basic Attributes
504.60200
504.21548932
7RD48GA3UA
Computed Properties
Molecular Weight:504.6
XLogP3:1.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:504.21548932
Monoisotopic Mass:504.21548932
Topological Polar Surface Area:189
Heavy Atom Count:35
Complexity:887
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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