4-oxidanylidene-4-[phenethyl-[3-phenylpropyl-[2-(phenylsulfonyl)ethyl]carbamoyl]amino]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[phenethyl-[3-phenylpropyl-[2-(phenylsulfonyl)ethyl]carbamoyl]amino]butanoic acid Openeye Name: 4-[[2-(benzenesulfonyl)ethyl-(3-phenylpropyl)carbamoyl]-phenethyl-amino]-4-oxo-butanoic acid CAS Name: 4-[[[2-(benzenesulfonyl)ethyl-(3-phenylpropyl)amino]-oxomethyl]-phenethylamino]-4-oxobutanoic acid IUPAC Name: 4-[[2-(benzenesulfonyl)ethyl-(3-phenylpropyl)carbamoyl]-phenethylamino]-4-oxobutanoic acid Traditional Name: 4-[[2-besylethyl(3-phenylpropyl)carbamoyl]-phenethyl-amino]-4-keto-butyric acid Formula: C30H34N2O6S MolecularWeight: 550.66576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCN(CCS(=O)(=O)C2=CC=CC=C2)C(=O)N(CCC3=CC=CC=C3)C(=O)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCN(CCS(=O)(=O)C2=CC=CC=C2)C(=O)N(CCC3=CC=CC=C3)C(=O)CCC(=O)O

InChI

InChI=1S/C30H34N2O6S/c33-28(18-19-29(34)35)32(22-20-26-13-6-2-7-14-26)30(36)31(21-10-15-25-11-4-1-5-12-25)23-24-39(37,38)27-16-8-3-9-17-27/h1-9,11-14,16-17H,10,15,18-24H2,(H,34,35)