[(3S)-1-(carboxymethyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl]-[(2S)-1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl]azanium

Systemtic Name: [(3S)-1-(carboxymethyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl]-[(2S)-1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl]azanium Openeye Name: [(3S)-1-(carboxymethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-[(1S)-1-ethoxycarbonyl-3-phenyl-propyl]ammonium CAS Name: [(3S)-1-(carboxymethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]ammonium IUPAC Name: [(3S)-1-(carboxymethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]azanium Traditional Name: [(1S)-1-carbethoxy-3-phenyl-propyl]-[(3S)-1-(carboxymethyl)-2-keto-4,5-dihydro-3H-1-benzazepin-3-yl]ammonium Formula: C24H29N2O5+ MolecularWeight: 425.49746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)[NH2+]C2CCC3=CC=CC=C3N(C2=O)CC(=O)O

Isomeric SMILES

CCOC(=O)[C@H](CCC1=CC=CC=C1)[NH2+][C@H]2CCC3=CC=CC=C3N(C2=O)CC(=O)O

InChI

InChI=1S/C24H28N2O5/c1-2-31-24(30)20(14-12-17-8-4-3-5-9-17)25-19-15-13-18-10-6-7-11-21(18)26(23(19)29)16-22(27)28/h3-11,19-20,25H,2,12-16H2,1H3,(H,27,28)/p+1/t19-,20-/m0/s1