2-[8-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-2-methyl-3-oxidanylidene-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoic acid

Systemtic Name: 2-[8-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-2-methyl-3-oxidanylidene-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoic acid Openeye Name: 2-[8-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-2-methyl-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid CAS Name: 2-[8-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]-2-methyl-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid IUPAC Name: 2-[8-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-methyl-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid Traditional Name: 2-[8-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-3-keto-2-methyl-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(CC(C1=O)CC(=O)O)C=CC(=C2)NC(=O)C(CC3=CC=CC=C3)N

Isomeric SMILES

CN1CC2=C(CC(C1=O)CC(=O)O)C=CC(=C2)NC(=O)[C@H](CC3=CC=CC=C3)N

InChI

InChI=1S/C22H25N3O4/c1-25-13-17-11-18(8-7-15(17)10-16(22(25)29)12-20(26)27)24-21(28)19(23)9-14-5-3-2-4-6-14/h2-8,11,16,19H,9-10,12-13,23H2,1H3,(H,24,28)(H,26,27)/t16?,19-/m0/s1