Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L4S0UH
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| Ligand Name |
21S-Argatroban
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| Synonyms |
21S-Argatroban; 121785-72-6; 21S-Argatroban anhydrous; UNII-4YBM839JAC; 4YBM839JAC; Argatroban anhydrous, 21S-; (21S)-Argatroban; CHEMBL502016; (2R,4R)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(3S)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid; 2-Piperidinecarboxylic acid, 1-((2S)-5-((aminoiminomethyl)amino)-1-oxo-2-((((3S)-1,2,3,4-tetrahydro-3-methyl-8-quinolinyl)sulfonyl)amino)pentyl)-4-methyl-, (2R,4R)-; S-argatroban; 1dwc; (2r,4r)-4-Methyl-1-(N~2~-{[(3s)-3-Methyl-1,2,3,4-Tetrahydroquinolin-8-Yl]sulfonyl}-L-Arginyl)piperidine-2-Carboxylic Acid; 15U; SCHEMBL3175687; ZINC3917722; BDBM50462132; ARGATROBAN ANHYDROUS, (21S)-; EN300-267544; Q27260670; (2R,4R)-1-[(2S)-5-carbamimidamido-2-[(3S)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamido]pentanoyl]-4-methylpiperidine-2-carboxylic acid
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| Structure |
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Download2D MOL |
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| Formula |
C23H36N6O5S
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| Canonical SMILES |
CC1CCN(C(C1)C(=O)O)C(=O)C(CCCN=C(N)N)NS(=O)(=O)C2=CC=CC3=C2NCC(C3)C
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| 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
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| InChIKey |
KXNPVXPOPUZYGB-MXSMSXNCSA-N
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| PubChem Compound ID | ||||
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