(2S)-2-[[1-[(2S)-2-azaniumyl-3-phenyl-propanoyl]piperidin-4-yl]carbonylamino]butanedioate

Systemtic Name: (2S)-2-[[1-[(2S)-2-azaniumyl-3-phenyl-propanoyl]piperidin-4-yl]carbonylamino]butanedioate Openeye Name: (2S)-2-[[1-[(2S)-2-azaniumyl-3-phenyl-propanoyl]piperidine-4-carbonyl]amino]butanedioate CAS Name: (2S)-2-[[[1-[(2S)-2-ammonio-1-oxo-3-phenylpropyl]-4-piperidinyl]-oxomethyl]amino]butanedioate IUPAC Name: (2S)-2-[[1-[(2S)-2-azaniumyl-3-phenylpropanoyl]piperidine-4-carbonyl]amino]butanedioate Traditional Name: (2S)-2-[[1-[(2S)-2-ammonio-3-phenyl-propanoyl]isonipecotoyl]amino]succinate Formula: C19H24N3O6- MolecularWeight: 390.41036

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC(CC(=O)[O-])C(=O)[O-])C(=O)C(CC2=CC=CC=C2)[NH3+]

Isomeric SMILES

C1CN(CCC1C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])C(=O)[C@H](CC2=CC=CC=C2)[NH3+]

InChI

InChI=1S/C19H25N3O6/c20-14(10-12-4-2-1-3-5-12)18(26)22-8-6-13(7-9-22)17(25)21-15(19(27)28)11-16(23)24/h1-5,13-15H,6-11,20H2,(H,21,25)(H,23,24)(H,27,28)/p-1/t14-,15-/m0/s1