(phenylmethyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-4-phenylazanyl-butanoate

Systemtic Name: (phenylmethyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-4-phenylazanyl-butanoate Openeye Name: benzyl (2S)-4-anilino-2-(tert-butoxycarbonylamino)-4-oxo-butanoate CAS Name: (2S)-4-anilino-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxobutanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-4-anilino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate Traditional Name: (2S)-4-anilino-2-(tert-butoxycarbonylamino)-4-keto-butyric acid benzyl ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC(=O)NC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC(=O)NC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H26N2O5/c1-22(2,3)29-21(27)24-18(14-19(25)23-17-12-8-5-9-13-17)20(26)28-15-16-10-6-4-7-11-16/h4-13,18H,14-15H2,1-3H3,(H,23,25)(H,24,27)/t18-/m0/s1