[2-[(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-3-phenyl-propanoate

Systemtic Name: [2-[(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-3-phenyl-propanoate Openeye Name: [2-[(4-methoxyphenyl)methylamino]-2-oxo-ethyl] (2S)-3-phenyl-2-ureido-propanoate CAS Name: (2S)-2-(carbamoylamino)-3-phenylpropanoic acid [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] (2S)-2-(carbamoylamino)-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-ureido-propionic acid [2-keto-2-(p-anisylamino)ethyl] ester Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)COC(=O)C(CC2=CC=CC=C2)NC(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)COC(=O)[C@H](CC2=CC=CC=C2)NC(=O)N

InChI

InChI=1S/C20H23N3O5/c1-27-16-9-7-15(8-10-16)12-22-18(24)13-28-19(25)17(23-20(21)26)11-14-5-3-2-4-6-14/h2-10,17H,11-13H2,1H3,(H,22,24)(H3,21,23,26)/t17-/m0/s1