(2S)-2-(2-cyclopentylethanoylamino)-N-[(4S)-2-oxidanylidene-1-phenethyl-azepan-4-yl]-2-phenyl-ethanamide

Systemtic Name: (2S)-2-(2-cyclopentylethanoylamino)-N-[(4S)-2-oxidanylidene-1-phenethyl-azepan-4-yl]-2-phenyl-ethanamide Openeye Name: (2S)-2-[(2-cyclopentylacetyl)amino]-N-[(4S)-2-oxo-1-phenethyl-azepan-4-yl]-2-phenyl-acetamide CAS Name: (2S)-2-[(2-cyclopentyl-1-oxoethyl)amino]-N-[(4S)-2-oxo-1-phenethyl-4-azepanyl]-2-phenylacetamide IUPAC Name: (2S)-2-[(2-cyclopentylacetyl)amino]-N-[(4S)-2-oxo-1-phenethylazepan-4-yl]-2-phenylacetamide Traditional Name: (2S)-2-[(2-cyclopentylacetyl)amino]-N-[(4S)-2-keto-1-phenethyl-azepan-4-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)NC3CCCN(C(=O)C3)CCC4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)CC(=O)N[C@@H](C2=CC=CC=C2)C(=O)N[C@H]3CCCN(C(=O)C3)CCC4=CC=CC=C4

InChI

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