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

Systemtic Name: (2R)-N-(3-azanyl-2-oxidanyl-propyl)-3-naphthalen-2-yl-2-[3-(2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl)propanoylamino]propanamide Openeye Name: (2R)-N-(3-amino-2-hydroxy-propyl)-3-(2-naphthyl)-2-[3-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanoylamino]propanamide CAS Name: (2R)-N-(3-amino-2-hydroxypropyl)-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-amino-2-hydroxypropyl)-3-naphthalen-2-yl-2-[3-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanoylamino]propanamide Traditional Name: (2R)-N-(3-amino-2-hydroxy-propyl)-2-[3-(2-keto-4,5-dihydro-3H-1-benzazepin-1-yl)propanoylamino]-3-(2-naphthyl)propionamide Formula: C29H34N4O4 MolecularWeight: 502.60466

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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)NCC(CN)O

Isomeric SMILES

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

InChI

InChI=1S/C29H34N4O4/c30-18-24(34)19-31-29(37)25(17-20-12-13-21-6-1-2-8-23(21)16-20)32-27(35)14-15-33-26-10-4-3-7-22(26)9-5-11-28(33)36/h1-4,6-8,10,12-13,16,24-25,34H,5,9,11,14-15,17-19,30H2,(H,31,37)(H,32,35)/t24?,25-/m1/s1