3-[methoxycarbonyl-[N'-(2-nitro-5-propylsulfanyl-phenyl)carbamimidoyl]amino]propanoic acid

Systemtic Name: 3-[methoxycarbonyl-[N'-(2-nitro-5-propylsulfanyl-phenyl)carbamimidoyl]amino]propanoic acid Openeye Name: 3-[methoxycarbonyl-[N'-(2-nitro-5-propylsulfanyl-phenyl)carbamimidoyl]amino]propanoic acid CAS Name: 3-[[amino-[2-nitro-5-(propylthio)phenyl]iminomethyl]-methoxycarbonylamino]propanoic acid IUPAC Name: 3-[methoxycarbonyl-[N'-(2-nitro-5-propylsulfanylphenyl)carbamimidoyl]amino]propanoic acid Traditional Name: 3-[carbomethoxy-[N'-[2-nitro-5-(propylthio)phenyl]amidino]amino]propionic acid Formula: C15H20N4O6S MolecularWeight: 384.4075

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC(=C(C=C1)[N+](=O)[O-])N=C(N)N(CCC(=O)O)C(=O)OC

Isomeric SMILES

CCCSC1=CC(=C(C=C1)[N+](=O)[O-])N=C(N)N(CCC(=O)O)C(=O)OC

InChI

InChI=1S/C15H20N4O6S/c1-3-8-26-10-4-5-12(19(23)24)11(9-10)17-14(16)18(15(22)25-2)7-6-13(20)21/h4-5,9H,3,6-8H2,1-2H3,(H2,16,17)(H,20,21)