[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] (2S)-2-benzamido-3-phenyl-propanoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] (2S)-2-benzamido-3-phenyl-propanoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] (2S)-2-benzamido-3-phenyl-propanoate CAS Name: (2S)-2-benzamido-3-phenylpropanoic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] (2S)-2-benzamido-3-phenylpropanoate Traditional Name: (2S)-2-benzamido-3-phenyl-propionic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C27H28N2O4S MolecularWeight: 476.58722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC(=O)NCCCSC2=CC=CC=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)OCC(=O)NCCCSC2=CC=CC=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H28N2O4S/c30-25(28-17-10-18-34-23-15-8-3-9-16-23)20-33-27(32)24(19-21-11-4-1-5-12-21)29-26(31)22-13-6-2-7-14-22/h1-9,11-16,24H,10,17-20H2,(H,28,30)(H,29,31)/t24-/m0/s1