(phenylmethyl) 2-[(2S)-2-azanyl-3-methyl-butanoyl]-2-(2-oxidanylideneethylamino)cyclohexane-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[(2S)-2-azanyl-3-methyl-butanoyl]-2-(2-oxidanylideneethylamino)cyclohexane-1-carboxylate Openeye Name: benzyl 2-[(2S)-2-amino-3-methyl-butanoyl]-2-(2-oxoethylamino)cyclohexanecarboxylate CAS Name: 2-[(2S)-2-amino-3-methyl-1-oxobutyl]-2-(2-oxoethylamino)-1-cyclohexanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(2S)-2-amino-3-methylbutanoyl]-2-(2-oxoethylamino)cyclohexane-1-carboxylate Traditional Name: 2-[(2S)-2-amino-3-methyl-butanoyl]-2-(2-ketoethylamino)cyclohexanecarboxylic acid benzyl ester Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C1(CCCCC1C(=O)OCC2=CC=CC=C2)NCC=O)N

Isomeric SMILES

CC(C)[C@@H](C(=O)C1(CCCCC1C(=O)OCC2=CC=CC=C2)NCC=O)N

InChI

InChI=1S/C21H30N2O4/c1-15(2)18(22)19(25)21(23-12-13-24)11-7-6-10-17(21)20(26)27-14-16-8-4-3-5-9-16/h3-5,8-9,13,15,17-18,23H,6-7,10-12,14,22H2,1-2H3/t17?,18-,21?/m0/s1