ARGATROBAN ,121785-71-5 _Chemical Cloud Database

ARGATROBAN

Basic Information
Product Name：	ARGATROBAN
CAS：	121785-71-5 ;74863-84-6 ;141396-28-3
English Synonyms：	(2R,4R)-1-[(2S)-5-[(AMINOIMINOMETHYL)AMINO]-1-OXO-2-[[(1,2,3,4-TETRAHYDRO-3-METHYL-8-QUINOLINYL)SULFONYL]AMINO]PENTYL]-4-METHYL-2-PI ; (2R,4R)-1-((2S)-5-((AMINOIMINOMETHYL)AMINO)-1-OXO-2-(((1,2,3,4-TETRAHYDRO-3-METHYL-8-QUINOLINYL)SULFONYL)AMINO)PENTYL)-4-METHYL-2-PIPERIDINECARBOXYLIC ACID ; ARGATROBAN ; (2R,4R)-1-((2S)-5-GUANIDINO-2-(3-METHYL-1,2,3,4-TETRAHYDROQUINOLINE-8-SULFONAMIDO)PENTANOYL)-4-METHYLPIPERIDINE-2-CARBOXYLIC ACID ; ARGATROBAN ANHYDROUS ; (2R,4R)-4-METHYL-1-[N-[(3-METHYL-1,2,3,4-TETRAHYDRO-8-QUINOLINYL)SULFONYL]-L-ARGINYL]-2-PIPERIDINECARBOXYLIC ACID ; 2-PIPERIDINECARBOXYLIC ACID, 1-[(2S)-5-[(AMINOIMINOMETHYL)AMINO]-1-OXO-2-[[(1,2,3,4-TETRAHYDRO-3-METHYL-8-QUINOLINYL)SULFONYL]AMINO]PENTYL]-4-METHYL-, (2R,4R)-
MDL Number.：	MFCD00866789
H bond acceptor：	11
H bond donor：	6
Smile：	C[C@@H]1CCN([C@H](C1)C(=O)O)C(=O)[C@H](CCCNC(=N)N)NS(=O)(=O)c2cccc3c2NCC(C3)C
InChi：	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
InChiKey：	InChIKey=KXNPVXPOPUZYGB-IOVMHBDKSA-N
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