(2R)-N-(3-azanylpropyl)-3-naphthalen-2-yl-2-[3-(2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl)propanoylamino]propanamide

Systemtic Name: (2R)-N-(3-azanylpropyl)-3-naphthalen-2-yl-2-[3-(2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl)propanoylamino]propanamide Openeye Name: (2R)-N-(3-aminopropyl)-3-(2-naphthyl)-2-[3-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanoylamino]propanamide CAS Name: (2R)-N-(3-aminopropyl)-3-(2-naphthalenyl)-2-[[1-oxo-3-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propyl]amino]propanamide IUPAC Name: (2R)-N-(3-aminopropyl)-3-naphthalen-2-yl-2-[3-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanoylamino]propanamide Traditional Name: (2R)-N-(3-aminopropyl)-2-[3-(2-keto-4,5-dihydro-3H-1-benzazepin-1-yl)propanoylamino]-3-(2-naphthyl)propionamide Formula: C29H34N4O3 MolecularWeight: 486.60526

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C(=O)C1)CCC(=O)NC(CC3=CC4=CC=CC=C4C=C3)C(=O)NCCCN

Isomeric SMILES

C1CC2=CC=CC=C2N(C(=O)C1)CCC(=O)N[C@H](CC3=CC4=CC=CC=C4C=C3)C(=O)NCCCN

InChI

InChI=1S/C29H34N4O3/c30-16-6-17-31-29(36)25(20-21-13-14-22-7-1-2-9-24(22)19-21)32-27(34)15-18-33-26-11-4-3-8-23(26)10-5-12-28(33)35/h1-4,7-9,11,13-14,19,25H,5-6,10,12,15-18,20,30H2,(H,31,36)(H,32,34)/t25-/m1/s1