[2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate

Systemtic Name: [2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate Openeye Name: [2-(4-tert-butylanilino)-2-oxo-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]propanoic acid [2-(4-tert-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylanilino)-2-oxoethyl] (2S)-2-(phenylcarbamoylamino)propanoate Traditional Name: (2S)-2-(phenylcarbamoylamino)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(=O)OCC(=O)NC1=CC=C(C=C1)C(C)(C)C)NC(=O)NC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NC1=CC=C(C=C1)C(C)(C)C)NC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C22H27N3O4/c1-15(23-21(28)25-17-8-6-5-7-9-17)20(27)29-14-19(26)24-18-12-10-16(11-13-18)22(2,3)4/h5-13,15H,14H2,1-4H3,(H,24,26)(H2,23,25,28)/t15-/m0/s1