ethyl 2-[3-[(2-azanyl-3-phenyl-propanoyl)amino]-2-oxidanylidene-5-phenyl-3H-1-benzazepin-1-yl]ethanoate

Systemtic Name: ethyl 2-[3-[(2-azanyl-3-phenyl-propanoyl)amino]-2-oxidanylidene-5-phenyl-3H-1-benzazepin-1-yl]ethanoate Openeye Name: ethyl 2-[3-[(2-amino-3-phenyl-propanoyl)amino]-2-oxo-5-phenyl-3H-1-benzazepin-1-yl]acetate CAS Name: 2-[3-[(2-amino-1-oxo-3-phenylpropyl)amino]-2-oxo-5-phenyl-3H-1-benzazepin-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[(2-amino-3-phenylpropanoyl)amino]-2-oxo-5-phenyl-3H-1-benzazepin-1-yl]acetate Traditional Name: 2-[2-keto-5-phenyl-3-(phenylalanylamino)-3H-1-benzazepin-1-yl]acetic acid ethyl ester Formula: C29H29N3O4 MolecularWeight: 483.55826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC=CC=C2C(=CC(C1=O)NC(=O)C(CC3=CC=CC=C3)N)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CN1C2=CC=CC=C2C(=CC(C1=O)NC(=O)C(CC3=CC=CC=C3)N)C4=CC=CC=C4

InChI

InChI=1S/C29H29N3O4/c1-2-36-27(33)19-32-26-16-10-9-15-22(26)23(21-13-7-4-8-14-21)18-25(29(32)35)31-28(34)24(30)17-20-11-5-3-6-12-20/h3-16,18,24-25H,2,17,19,30H2,1H3,(H,31,34)