[(2S)-1-oxidanylidene-1-(phenethylamino)propan-2-yl] (2S)-2-(aminocarbonylamino)-3-phenyl-propanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(phenethylamino)propan-2-yl] (2S)-2-(aminocarbonylamino)-3-phenyl-propanoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(phenethylamino)ethyl] (2S)-3-phenyl-2-ureido-propanoate CAS Name: (2S)-2-(carbamoylamino)-3-phenylpropanoic acid [(2S)-1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(phenethylamino)propan-2-yl] (2S)-2-(carbamoylamino)-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-ureido-propionic acid [(1S)-2-keto-1-methyl-2-(phenethylamino)ethyl] ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C(CC2=CC=CC=C2)NC(=O)N

Isomeric SMILES

C[C@@H](C(=O)NCCC1=CC=CC=C1)OC(=O)[C@H](CC2=CC=CC=C2)NC(=O)N

InChI

InChI=1S/C21H25N3O4/c1-15(19(25)23-13-12-16-8-4-2-5-9-16)28-20(26)18(24-21(22)27)14-17-10-6-3-7-11-17/h2-11,15,18H,12-14H2,1H3,(H,23,25)(H3,22,24,27)/t15-,18-/m0/s1