[2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl] (2S)-2-benzamido-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: [2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl] (2S)-2-benzamido-3-(phenylmethylsulfanyl)propanoate Openeye Name: [2-(1-naphthylamino)-2-oxo-ethyl] (2S)-2-benzamido-3-benzylsulfanyl-propanoate CAS Name: (2S)-2-benzamido-3-(phenylmethylthio)propanoic acid [2-(1-naphthalenylamino)-2-oxoethyl] ester IUPAC Name: [2-(naphthalen-1-ylamino)-2-oxoethyl] (2S)-2-benzamido-3-benzylsulfanylpropanoate Traditional Name: (2S)-2-benzamido-3-(benzylthio)propionic acid [2-keto-2-(1-naphthylamino)ethyl] ester Formula: C29H26N2O4S MolecularWeight: 498.59274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(C(=O)OCC(=O)NC2=CC=CC3=CC=CC=C32)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CSC[C@H](C(=O)OCC(=O)NC2=CC=CC3=CC=CC=C32)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H26N2O4S/c32-27(30-25-17-9-15-22-12-7-8-16-24(22)25)18-35-29(34)26(20-36-19-21-10-3-1-4-11-21)31-28(33)23-13-5-2-6-14-23/h1-17,26H,18-20H2,(H,30,32)(H,31,33)/t26-/m1/s1