[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl] (3S)-3-benzamido-3-phenyl-propanoate

Systemtic Name: [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl] (3S)-3-benzamido-3-phenyl-propanoate Openeye Name: [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl] (3S)-3-benzamido-3-phenyl-propanoate CAS Name: (3S)-3-benzamido-3-phenylpropanoic acid [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] (3S)-3-benzamido-3-phenylpropanoate Traditional Name: (3S)-3-benzamido-3-phenyl-propionic acid [2-keto-2-[[(1S,2S)-2-methylcyclohexyl]amino]ethyl] ester Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)COC(=O)CC(C2=CC=CC=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)C[C@@H](C2=CC=CC=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H30N2O4/c1-18-10-8-9-15-21(18)26-23(28)17-31-24(29)16-22(19-11-4-2-5-12-19)27-25(30)20-13-6-3-7-14-20/h2-7,11-14,18,21-22H,8-10,15-17H2,1H3,(H,26,28)(H,27,30)/t18-,21-,22-/m0/s1