(2S)-2-[[(3S)-1-(2-oxidanidyl-2-oxidanylidene-ethyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl]azaniumyl]-4-phenyl-butanoate

Systemtic Name: (2S)-2-[[(3S)-1-(2-oxidanidyl-2-oxidanylidene-ethyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl]azaniumyl]-4-phenyl-butanoate Openeye Name: (2S)-2-[[(3S)-1-(2-oxido-2-oxo-ethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]ammonio]-4-phenyl-butanoate CAS Name: (2S)-2-[[(3S)-1-(2-oxido-2-oxoethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]ammonio]-4-phenylbutanoate IUPAC Name: (2S)-2-[[(3S)-1-(2-oxido-2-oxoethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]azaniumyl]-4-phenylbutanoate Traditional Name: (2S)-2-[[(3S)-2-keto-1-(2-keto-2-oxido-ethyl)-4,5-dihydro-3H-1-benzazepin-3-yl]ammonio]-4-phenyl-butyrate Formula: C22H23N2O5- MolecularWeight: 395.42842

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C(=O)C1[NH2+]C(CCC3=CC=CC=C3)C(=O)[O-])CC(=O)[O-]

Isomeric SMILES

C1CC2=CC=CC=C2N(C(=O)[C@H]1[NH2+][C@@H](CCC3=CC=CC=C3)C(=O)[O-])CC(=O)[O-]

InChI

InChI=1S/C22H24N2O5/c25-20(26)14-24-19-9-5-4-8-16(19)11-13-17(21(24)27)23-18(22(28)29)12-10-15-6-2-1-3-7-15/h1-9,17-18,23H,10-14H2,(H,25,26)(H,28,29)/p-1/t17-,18-/m0/s1