(phenylmethyl) N-[(2S)-3-methyl-1-[methyl-(2-oxidanylidene-2-phenylazanyl-ethyl)amino]-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-3-methyl-1-[methyl-(2-oxidanylidene-2-phenylazanyl-ethyl)amino]-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-[(2-anilino-2-oxo-ethyl)-methyl-carbamoyl]-2-methyl-propyl]carbamate CAS Name: N-[(2S)-1-[(2-anilino-2-oxoethyl)-methylamino]-3-methyl-1-oxobutan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-[(2-anilino-2-oxoethyl)-methylamino]-3-methyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1S)-1-[(2-anilino-2-keto-ethyl)-methyl-carbamoyl]-2-methyl-propyl]carbamic acid benzyl ester Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4/c1-16(2)20(24-22(28)29-15-17-10-6-4-7-11-17)21(27)25(3)14-19(26)23-18-12-8-5-9-13-18/h4-13,16,20H,14-15H2,1-3H3,(H,23,26)(H,24,28)/t20-/m0/s1