(2S)-2-[[4-phenyl-1-[(2S)-pyrrolidin-2-yl]carbonyl-piperidin-4-yl]carbonylamino]propanoic acid

Systemtic Name: (2S)-2-[[4-phenyl-1-[(2S)-pyrrolidin-2-yl]carbonyl-piperidin-4-yl]carbonylamino]propanoic acid Openeye Name: (2S)-2-[[4-phenyl-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carbonyl]amino]propanoic acid CAS Name: (2S)-2-[[oxo-[1-[oxo-[(2S)-2-pyrrolidinyl]methyl]-4-phenyl-4-piperidinyl]methyl]amino]propanoic acid IUPAC Name: (2S)-2-[[4-phenyl-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carbonyl]amino]propanoic acid Traditional Name: (2S)-2-[[4-phenyl-1-[(2S)-prolyl]isonipecotoyl]amino]propionic acid Formula: C20H27N3O4 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C1(CCN(CC1)C(=O)C2CCCN2)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)C1(CCN(CC1)C(=O)[C@@H]2CCCN2)C3=CC=CC=C3

InChI

InChI=1S/C20H27N3O4/c1-14(18(25)26)22-19(27)20(15-6-3-2-4-7-15)9-12-23(13-10-20)17(24)16-8-5-11-21-16/h2-4,6-7,14,16,21H,5,8-13H2,1H3,(H,22,27)(H,25,26)/t14-,16-/m0/s1