[2-(cycloheptylamino)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate

Systemtic Name: [2-(cycloheptylamino)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate Openeye Name: [2-(cycloheptylamino)-2-oxo-ethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenylethyl)amino]butanoic acid [2-(cycloheptylamino)-2-oxoethyl] ester IUPAC Name: [2-(cycloheptylamino)-2-oxoethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]butyric acid [2-(cycloheptylamino)-2-keto-ethyl] ester Formula: C22H32N2O4 MolecularWeight: 388.50048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1CCCCCC1)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)NC1CCCCCC1)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C22H32N2O4/c1-16(2)21(24-19(25)14-17-10-6-5-7-11-17)22(27)28-15-20(26)23-18-12-8-3-4-9-13-18/h5-7,10-11,16,18,21H,3-4,8-9,12-15H2,1-2H3,(H,23,26)(H,24,25)/t21-/m0/s1