methyl 2-[2-[(3-oxidanylidene-3-phenyl-propanethioyl)amino]ethanoyl-(phenylcarbonyl)amino]-3-sulfanyl-propanoate

Systemtic Name: methyl 2-[2-[(3-oxidanylidene-3-phenyl-propanethioyl)amino]ethanoyl-(phenylcarbonyl)amino]-3-sulfanyl-propanoate Openeye Name: methyl 2-[benzoyl-[2-[(3-oxo-3-phenyl-propanethioyl)amino]acetyl]amino]-3-sulfanyl-propanoate CAS Name: 2-[benzoyl-[1-oxo-2-[(3-oxo-3-phenyl-1-sulfanylidenepropyl)amino]ethyl]amino]-3-mercaptopropanoic acid methyl ester IUPAC Name: methyl 2-[benzoyl-[2-[(3-oxo-3-phenylpropanethioyl)amino]acetyl]amino]-3-sulfanylpropanoate Traditional Name: 2-[benzoyl-[2-[(3-keto-3-phenyl-propanethioyl)amino]acetyl]amino]-3-mercapto-propionic acid methyl ester Formula: C22H22N2O5S2 MolecularWeight: 458.55048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CS)N(C(=O)CNC(=S)CC(=O)C1=CC=CC=C1)C(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C(CS)N(C(=O)CNC(=S)CC(=O)C1=CC=CC=C1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H22N2O5S2/c1-29-22(28)17(14-30)24(21(27)16-10-6-3-7-11-16)20(26)13-23-19(31)12-18(25)15-8-4-2-5-9-15/h2-11,17,30H,12-14H2,1H3,(H,23,31)