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

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-3-phenyl-propanoate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] (2S)-3-phenyl-2-ureido-propanoate CAS Name: (2S)-2-(carbamoylamino)-3-phenylpropanoic acid [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] (2S)-2-(carbamoylamino)-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-ureido-propionic acid [2-keto-2-(veratrylamino)ethyl] ester Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O6/c1-28-17-9-8-15(11-18(17)29-2)12-23-19(25)13-30-20(26)16(24-21(22)27)10-14-6-4-3-5-7-14/h3-9,11,16H,10,12-13H2,1-2H3,(H,23,25)(H3,22,24,27)/t16-/m0/s1