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N-Nitro-1,2,3,4-tetradehydro Argatroban

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For Research Use Only | Not For Clinical Use
CATAPS74874105
CAS74874-10-5
Structure
Synonyms2-Piperidinecarboxylic acid, 1-[(2S)-5-[[imino(nitroamino)methyl]amino]-2-[[(3-methyl-8-quinolinyl)sulfonyl]amino]-1-oxopentyl]-4-methyl-, (2R,4R)-, (2R,4R)-1-[N8-Nitro- N2-(3-methylquinoline-8-sulfonyl)-L-arginyl]-4-methylpiperidine-2-carboxylic acid, 2-Piperidinecarboxylic acid, 1-[5-[[imino(nitroamino)methyl]amino]-2-[[(3-methyl-8-quinolinyl)sulfonyl]amino]-1-oxopentyl]-4-methyl-, [2R-[1(S*),2α,4β]]-, N-Nitro-1,2,3,4-tetradehydroargatroban, N-Nitro-1,2,3,4-tetradehydro Argatroban, Argatroban Compound A, Argatroban Compound G, Argatroban Compound I
IUPAC Name(2R,4R)-4-methyl-1-[(2S)-2-[(3-methylquinolin-8-yl)sulfonylamino]-5-[(N-nitrocarbamimidoyl)amino]pentanoyl]piperidine-2-carboxylic acid
Molecular Weight549.60
Molecular FormulaC23H31N7O7S
Canonical SMILESC[C@@H]1CCN([C@H](C1)C(=O)O)C(=O)[C@H](CCCNC(=N)N[N+](=O)[O-])NS(=O)(=O)c2cccc3cc(C)cnc23
InChIInChI=1S/C23H31N7O7S/c1-14-8-10-29(18(12-14)22(32)33)21(31)17(6-4-9-25-23(24)27-30(34)35)28-38(36,37)19-7-3-5-16-11-15(2)13-26-20(16)19/h3,5,7,11,13-14,17-18,28H,4,6,8-10,12H2,1-2H3,(H,32,33)(H3,24,25,27)/t14-,17+,18-/m1/s1
Accurate Mass549.2006
FormatNeat
ShippingRoom Temperature
Size10MG
Storage Conditions-20°C Freezer
SubcategoryChiral molecules
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