N-Nitro tetradehydroargatroban
Properties
- Molecular formula
- C23H31N7O7S
- Molar mass
- 549.60 g/mol
- Exact mass
- 549.2006 Da
- logP
- 0.78Crippen estimate
- Polar surface area
- 210.2 Ų
- H-bond donors / acceptors
- 4 / 8
- Rotatable bonds
- 10
- Stereocentres
- R, R, Sin SMILES atom order
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library
Identifiers
CAS number
74874-10-5SMILES
C[C@@H]1CCN([C@H](C1)C(=O)O)C(=O)[C@H](CCCN=C(N)N[N+](=O)[O-])NS(=O)(=O)C2=CC=CC3=C2N=CC(=C3)CInChIKey
XBDLKMBSCAVLDV-FHLIZLRMSA-NInChI
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/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 2-Piperidinecarboxylic acid, 1-[5-[imino(nitroamino)methyl]amino]-2-[[(3-methyl-8-quinolinyl)sulfonyl]amino]-1-oxopentyl]-4-methyl-,[2R-[1(S*), 2alpha, 4beta]]-
Work with N-Nitro tetradehydroargatroban
Similar compounds
Ethyl (2R,4R)-1-[(2S)-5-[[imino(nitroamino)methyl]amino]-2-[[(3-methyl-8-quinolinyl)sulfonyl]amino]-1-oxopentyl]-4-methyl-2-piperidinecarboxylate74874-09-263 % similar
21R-Argatroban121785-71-554 % similar
Argatroban74863-84-646 % similar
Tos-arg-oh1159-15-537 % similar
N'-Nitro-D-arginine66036-77-937 % similar
Boc-N'-nitro-L-homoarginine28968-64-135 % similar
Boc-arg(mts)-oh68262-71-533 % similar
Boc-D-arg(tos)-oh61315-61-533 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds