[(2R)-1-[(4-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-(aminocarbonylamino)-3-phenyl-propanoate

Systemtic Name: [(2R)-1-[(4-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-(aminocarbonylamino)-3-phenyl-propanoate Openeye Name: [(1R)-2-(4-ethoxyanilino)-1-methyl-2-oxo-ethyl] (2S)-3-phenyl-2-ureido-propanoate CAS Name: (2S)-2-(carbamoylamino)-3-phenylpropanoic acid [(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] (2S)-2-(carbamoylamino)-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-ureido-propionic acid [(1R)-2-keto-1-methyl-2-(p-phenetidino)ethyl] ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C(CC2=CC=CC=C2)NC(=O)N

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)[C@@H](C)OC(=O)[C@H](CC2=CC=CC=C2)NC(=O)N

InChI

InChI=1S/C21H25N3O5/c1-3-28-17-11-9-16(10-12-17)23-19(25)14(2)29-20(26)18(24-21(22)27)13-15-7-5-4-6-8-15/h4-12,14,18H,3,13H2,1-2H3,(H,23,25)(H3,22,24,27)/t14-,18+/m1/s1