(2S)-2-[[1-[(2S)-2-azanyl-3-phenyl-propanoyl]piperidin-4-yl]carbonylamino]pentanedioic acid

Systemtic Name: (2S)-2-[[1-[(2S)-2-azanyl-3-phenyl-propanoyl]piperidin-4-yl]carbonylamino]pentanedioic acid Openeye Name: (2S)-2-[[1-[(2S)-2-amino-3-phenyl-propanoyl]piperidine-4-carbonyl]amino]pentanedioic acid CAS Name: (2S)-2-[[[1-[(2S)-2-amino-1-oxo-3-phenylpropyl]-4-piperidinyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[1-[(2S)-2-amino-3-phenylpropanoyl]piperidine-4-carbonyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[1-[(2S)-2-amino-3-phenyl-propanoyl]isonipecotoyl]amino]glutaric acid Formula: C20H27N3O6 MolecularWeight: 405.44488

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC(CCC(=O)O)C(=O)O)C(=O)C(CC2=CC=CC=C2)N

Isomeric SMILES

C1CN(CCC1C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)[C@H](CC2=CC=CC=C2)N

InChI

InChI=1S/C20H27N3O6/c21-15(12-13-4-2-1-3-5-13)19(27)23-10-8-14(9-11-23)18(26)22-16(20(28)29)6-7-17(24)25/h1-5,14-16H,6-12,21H2,(H,22,26)(H,24,25)(H,28,29)/t15-,16-/m0/s1