methyl 4-oxidanylidene-4-[phenethyl-[3-phenylpropyl-[2-(phenylsulfonyl)ethyl]carbamoyl]amino]butanoate

Systemtic Name: methyl 4-oxidanylidene-4-[phenethyl-[3-phenylpropyl-[2-(phenylsulfonyl)ethyl]carbamoyl]amino]butanoate Openeye Name: methyl 4-[[2-(benzenesulfonyl)ethyl-(3-phenylpropyl)carbamoyl]-phenethyl-amino]-4-oxo-butanoate CAS Name: 4-[[[2-(benzenesulfonyl)ethyl-(3-phenylpropyl)amino]-oxomethyl]-phenethylamino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[2-(benzenesulfonyl)ethyl-(3-phenylpropyl)carbamoyl]-phenethylamino]-4-oxobutanoate Traditional Name: 4-[[2-besylethyl(3-phenylpropyl)carbamoyl]-phenethyl-amino]-4-keto-butyric acid methyl ester Formula: C31H36N2O6S MolecularWeight: 564.69234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)N(CCC1=CC=CC=C1)C(=O)N(CCCC2=CC=CC=C2)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CCC(=O)N(CCC1=CC=CC=C1)C(=O)N(CCCC2=CC=CC=C2)CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C31H36N2O6S/c1-39-30(35)20-19-29(34)33(23-21-27-14-7-3-8-15-27)31(36)32(22-11-16-26-12-5-2-6-13-26)24-25-40(37,38)28-17-9-4-10-18-28/h2-10,12-15,17-18H,11,16,19-25H2,1H3