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

Systemtic Name: (phenylmethyl) (2S)-4-[(2-aminophenyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butanoate Openeye Name: benzyl (2S)-4-(2-aminoanilino)-2-(tert-butoxycarbonylamino)-4-oxo-butanoate CAS Name: (2S)-4-(2-aminoanilino)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxobutanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-4-(2-aminoanilino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate Traditional Name: (2S)-4-(2-aminoanilino)-2-(tert-butoxycarbonylamino)-4-keto-butyric acid benzyl ester Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC(=O)NC1=CC=CC=C1N)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC(=O)NC1=CC=CC=C1N)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H27N3O5/c1-22(2,3)30-21(28)25-18(20(27)29-14-15-9-5-4-6-10-15)13-19(26)24-17-12-8-7-11-16(17)23/h4-12,18H,13-14,23H2,1-3H3,(H,24,26)(H,25,28)/t18-/m0/s1