[2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-3-phenyl-propanoate

Systemtic Name: [2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-3-phenyl-propanoate Openeye Name: [2-(4-tert-butylanilino)-2-oxo-ethyl] (2S)-3-phenyl-2-ureido-propanoate CAS Name: (2S)-2-(carbamoylamino)-3-phenylpropanoic acid [2-(4-tert-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylanilino)-2-oxoethyl] (2S)-2-(carbamoylamino)-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-ureido-propionic acid [2-(4-tert-butylanilino)-2-keto-ethyl] ester Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4/c1-22(2,3)16-9-11-17(12-10-16)24-19(26)14-29-20(27)18(25-21(23)28)13-15-7-5-4-6-8-15/h4-12,18H,13-14H2,1-3H3,(H,24,26)(H3,23,25,28)/t18-/m0/s1