N-[(2R)-1-[(3-azanyl-2-oxidanyl-propyl)amino]-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]-4-(6-methoxy-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide

Systemtic Name: N-[(2R)-1-[(3-azanyl-2-oxidanyl-propyl)amino]-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]-4-(6-methoxy-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide Openeye Name: N-[(1R)-2-[(3-amino-2-hydroxy-propyl)amino]-1-(2-naphthylmethyl)-2-oxo-ethyl]-4-(6-methoxy-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide CAS Name: N-[(2R)-1-[(3-amino-2-hydroxypropyl)amino]-3-(2-naphthalenyl)-1-oxopropan-2-yl]-4-(6-methoxy-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide IUPAC Name: N-[(2R)-1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-4-(6-methoxy-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide Traditional Name: N-[(1R)-2-[(3-amino-2-hydroxy-propyl)amino]-2-keto-1-(2-naphthylmethyl)ethyl]-4-(2-keto-6-methoxy-4,5-dihydro-3H-1-benzazepin-1-yl)butyramide Formula: C31H38N4O5 MolecularWeight: 546.65722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1CCCC(=O)N2CCCC(=O)NC(CC3=CC4=CC=CC=C4C=C3)C(=O)NCC(CN)O

Isomeric SMILES

COC1=CC=CC2=C1CCCC(=O)N2CCCC(=O)N[C@H](CC3=CC4=CC=CC=C4C=C3)C(=O)NCC(CN)O

InChI

InChI=1S/C31H38N4O5/c1-40-28-11-5-10-27-25(28)9-4-13-30(38)35(27)16-6-12-29(37)34-26(31(39)33-20-24(36)19-32)18-21-14-15-22-7-2-3-8-23(22)17-21/h2-3,5,7-8,10-11,14-15,17,24,26,36H,4,6,9,12-13,16,18-20,32H2,1H3,(H,33,39)(H,34,37)/t24?,26-/m1/s1