(2S)-2-(2-cyclopentylethanoylamino)-N-[(3S)-2-oxidanylidene-1-(phenylmethyl)azepan-3-yl]propanamide

Systemtic Name: (2S)-2-(2-cyclopentylethanoylamino)-N-[(3S)-2-oxidanylidene-1-(phenylmethyl)azepan-3-yl]propanamide Openeye Name: (2S)-N-[(3S)-1-benzyl-2-oxo-azepan-3-yl]-2-[(2-cyclopentylacetyl)amino]propanamide CAS Name: (2S)-2-[(2-cyclopentyl-1-oxoethyl)amino]-N-[(3S)-2-oxo-1-(phenylmethyl)-3-azepanyl]propanamide IUPAC Name: (2S)-N-[(3S)-1-benzyl-2-oxoazepan-3-yl]-2-[(2-cyclopentylacetyl)amino]propanamide Traditional Name: (2S)-N-[(3S)-1-benzyl-2-keto-azepan-3-yl]-2-[(2-cyclopentylacetyl)amino]propionamide Formula: C23H33N3O3 MolecularWeight: 399.52642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCN(C1=O)CC2=CC=CC=C2)NC(=O)CC3CCCC3

Isomeric SMILES

C[C@@H](C(=O)N[C@H]1CCCCN(C1=O)CC2=CC=CC=C2)NC(=O)CC3CCCC3

InChI

InChI=1S/C23H33N3O3/c1-17(24-21(27)15-18-9-5-6-10-18)22(28)25-20-13-7-8-14-26(23(20)29)16-19-11-3-2-4-12-19/h2-4,11-12,17-18,20H,5-10,13-16H2,1H3,(H,24,27)(H,25,28)/t17-,20-/m0/s1