[2-[(4-chlorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-3-phenyl-propanoate

Systemtic Name: [2-[(4-chlorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-3-phenyl-propanoate Openeye Name: [2-[(4-chlorophenyl)methyl-methyl-amino]-2-oxo-ethyl] (2S)-3-phenyl-2-ureido-propanoate CAS Name: (2S)-2-(carbamoylamino)-3-phenylpropanoic acid [2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl] (2S)-2-(carbamoylamino)-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-ureido-propionic acid [2-[(4-chlorobenzyl)-methyl-amino]-2-keto-ethyl] ester Formula: C20H22ClN3O4 MolecularWeight: 403.85938

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)Cl)C(=O)COC(=O)C(CC2=CC=CC=C2)NC(=O)N

Isomeric SMILES

CN(CC1=CC=C(C=C1)Cl)C(=O)COC(=O)[C@H](CC2=CC=CC=C2)NC(=O)N

InChI

InChI=1S/C20H22ClN3O4/c1-24(12-15-7-9-16(21)10-8-15)18(25)13-28-19(26)17(23-20(22)27)11-14-5-3-2-4-6-14/h2-10,17H,11-13H2,1H3,(H3,22,23,27)/t17-/m0/s1