[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] (2S)-2-(aminocarbonylamino)-3-phenyl-propanoate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] (2S)-2-(aminocarbonylamino)-3-phenyl-propanoate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] (2S)-3-phenyl-2-ureido-propanoate CAS Name: (2S)-2-(carbamoylamino)-3-phenylpropanoic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] (2S)-2-(carbamoylamino)-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-ureido-propionic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC(=O)NCCSC2=CC=CC=C2)NC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)OCC(=O)NCCSC2=CC=CC=C2)NC(=O)N

InChI

InChI=1S/C20H23N3O4S/c21-20(26)23-17(13-15-7-3-1-4-8-15)19(25)27-14-18(24)22-11-12-28-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,22,24)(H3,21,23,26)/t17-/m0/s1