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

Systemtic Name: [2-[2-(4-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-3-phenyl-propanoate Openeye Name: [2-[2-(4-methoxyphenyl)ethylamino]-2-oxo-ethyl] (2S)-3-phenyl-2-ureido-propanoate CAS Name: (2S)-2-(carbamoylamino)-3-phenylpropanoic acid [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] (2S)-2-(carbamoylamino)-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-ureido-propionic acid [2-keto-2-[2-(4-methoxyphenyl)ethylamino]ethyl] ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5/c1-28-17-9-7-15(8-10-17)11-12-23-19(25)14-29-20(26)18(24-21(22)27)13-16-5-3-2-4-6-16/h2-10,18H,11-14H2,1H3,(H,23,25)(H3,22,24,27)/t18-/m0/s1