(2S)-2-(2-cyclopentylethanoylamino)-N-[(3S)-2-oxidanylidene-1-phenethyl-azepan-3-yl]-2-phenyl-ethanamide

Systemtic Name: (2S)-2-(2-cyclopentylethanoylamino)-N-[(3S)-2-oxidanylidene-1-phenethyl-azepan-3-yl]-2-phenyl-ethanamide Openeye Name: (2S)-2-[(2-cyclopentylacetyl)amino]-N-[(3S)-2-oxo-1-phenethyl-azepan-3-yl]-2-phenyl-acetamide CAS Name: (2S)-2-[(2-cyclopentyl-1-oxoethyl)amino]-N-[(3S)-2-oxo-1-phenethyl-3-azepanyl]-2-phenylacetamide IUPAC Name: (2S)-2-[(2-cyclopentylacetyl)amino]-N-[(3S)-2-oxo-1-phenethylazepan-3-yl]-2-phenylacetamide Traditional Name: (2S)-2-[(2-cyclopentylacetyl)amino]-N-[(3S)-2-keto-1-phenethyl-azepan-3-yl]-2-phenyl-acetamide Formula: C29H37N3O3 MolecularWeight: 475.62238

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CC(=O)NC(C2=CC=CC=C2)C(=O)NC3CCCCN(C3=O)CCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C(=O)[C@H](C1)NC(=O)[C@H](C2=CC=CC=C2)NC(=O)CC3CCCC3)CCC4=CC=CC=C4

InChI

InChI=1S/C29H37N3O3/c33-26(21-23-13-7-8-14-23)31-27(24-15-5-2-6-16-24)28(34)30-25-17-9-10-19-32(29(25)35)20-18-22-11-3-1-4-12-22/h1-6,11-12,15-16,23,25,27H,7-10,13-14,17-21H2,(H,30,34)(H,31,33)/t25-,27-/m0/s1