[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propanoate

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propanoate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propanoate CAS Name: 3-[(4-methoxy-3-nitrophenyl)sulfonylamino]propanoic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-[(4-methoxy-3-nitrophenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propionic acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H26N4O9S MolecularWeight: 474.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)COC(=O)CCNS(=O)(=O)C1=CC(=C(C=C1)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)COC(=O)CCNS(=O)(=O)C1=CC(=C(C=C1)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H26N4O9S/c1-12(2)6-8-19-18(25)21-16(23)11-31-17(24)7-9-20-32(28,29)13-4-5-15(30-3)14(10-13)22(26)27/h4-5,10,12,20H,6-9,11H2,1-3H3,(H2,19,21,23,25)