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

Systemtic Name: [2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-3-phenyl-propanoate Openeye Name: [2-(3,4-dimethoxyanilino)-2-oxo-ethyl] (2S)-3-phenyl-2-ureido-propanoate CAS Name: (2S)-2-(carbamoylamino)-3-phenylpropanoic acid [2-(3,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyanilino)-2-oxoethyl] (2S)-2-(carbamoylamino)-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-ureido-propionic acid [2-(3,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C20H23N3O6 MolecularWeight: 401.41312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O6/c1-27-16-9-8-14(11-17(16)28-2)22-18(24)12-29-19(25)15(23-20(21)26)10-13-6-4-3-5-7-13/h3-9,11,15H,10,12H2,1-2H3,(H,22,24)(H3,21,23,26)/t15-/m0/s1