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CHEBI:94385 - (2R,4R)-1-[(2S)-5-(diaminomethylideneamino)-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]-1-oxopentyl]-4-methyl-2-piperidinecarboxylic acid

ChEBI IDCHEBI:94385
ChEBI Name(2R,4R)-1-[(2S)-5-(diaminomethylideneamino)-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]-1-oxopentyl]-4-methyl-2-piperidinecarboxylic acid
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Last Modified22 February 2017
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FormulaC23H36N6O5S
Net Charge0
Average Mass508.645
Monoisotopic Mass508.24679
SMILESCC1CNc2c(cccc2S(=O)(=O)N[C@@H](CCCN=C(N)N)C(=O)N2CC[C@@H](C)C[C@@H]2C(=O)O)C1
InChIInChI=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
InChIKeyKXNPVXPOPUZYGB-IOVMHBDKSA-N

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ChEBI Ontology
Synonyms  Source
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argatroban monohydrateDrugCentral
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argatroban sodiumDrugCentral
Manual XrefsDatabases
LSM-5061LINCS
239DrugCentral
Registry NumbersSources
CAS:74863-84-6DrugCentral