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

For research use only. Not for therapeutic Use.

  • CAT Number: R056521
  • CAS Number: 74874-10-5
  • Molecular Formula: C23H31N7O7S
  • Molecular Weight: 549.603
  • Purity: ≥95%
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Catalog Number R056521
CAS Number 74874-10-5
Synonyms

(2R,4R)-1-[(2S)-5-[[Imino(nitroamino)methyl]amino]-2-[[(3-methyl-8-quinolinyl)sulfonyl]amino]-1-oxopentyl]-4-methyl-2-piperidinecarboxylic Acid; [2R-[1(S*),2α,4β]]-1-[5-[[Imino(nitroamino)methyl]amino]-2-[[(3-methyl-8-quinolinyl)sulfonyl]amino]-1-oxo

Molecular Formula C23H31N7O7S
Purity ≥95%
Storage Desiccate at -20C
IUPAC Name (2R,4R)-1-[(2S)-5-[[amino(nitramido)methylidene]amino]-2-[(3-methylquinolin-8-yl)sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid
InChI InChI=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
InChIKey XBDLKMBSCAVLDV-FHLIZLRMSA-N
SMILES CC1CCN(C(C1)C(=O)O)C(=O)C(CCCN=C(N)N[N+](=O)[O-])NS(=O)(=O)C2=CC=CC3=CC(=CN=C32)C

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