2-azanyl-N-[1-[tert-butyl(ethanoyl)amino]-2-oxidanylidene-5,7-diphenyl-azepan-3-yl]-3-phenyl-propanamide

Systemtic Name: 2-azanyl-N-[1-[tert-butyl(ethanoyl)amino]-2-oxidanylidene-5,7-diphenyl-azepan-3-yl]-3-phenyl-propanamide Openeye Name: N-[1-[acetyl(tert-butyl)amino]-2-oxo-5,7-diphenyl-azepan-3-yl]-2-amino-3-phenyl-propanamide CAS Name: N-[1-[acetyl(tert-butyl)amino]-2-oxo-5,7-diphenyl-3-azepanyl]-2-amino-3-phenylpropanamide IUPAC Name: N-[1-[acetyl(tert-butyl)amino]-2-oxo-5,7-diphenylazepan-3-yl]-2-amino-3-phenylpropanamide Traditional Name: N-[1-[acetyl(tert-butyl)amino]-2-keto-5,7-diphenyl-azepan-3-yl]-2-amino-3-phenyl-propionamide Formula: C33H40N4O3 MolecularWeight: 540.6957

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C(C)(C)C)N1C(CC(CC(C1=O)NC(=O)C(CC2=CC=CC=C2)N)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)N(C(C)(C)C)N1C(CC(CC(C1=O)NC(=O)C(CC2=CC=CC=C2)N)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C33H40N4O3/c1-23(38)37(33(2,3)4)36-30(26-18-12-7-13-19-26)22-27(25-16-10-6-11-17-25)21-29(32(36)40)35-31(39)28(34)20-24-14-8-5-9-15-24/h5-19,27-30H,20-22,34H2,1-4H3,(H,35,39)