(3S)-3-[[(3R)-1-(3-pyridin-4-ylpropanoyl)piperidin-3-yl]carbonylamino]pent-4-ynoic acid

Systemtic Name: (3S)-3-[[(3R)-1-(3-pyridin-4-ylpropanoyl)piperidin-3-yl]carbonylamino]pent-4-ynoic acid Openeye Name: (3S)-3-[[(3R)-1-[3-(4-pyridyl)propanoyl]piperidine-3-carbonyl]amino]pent-4-ynoic acid CAS Name: (3S)-3-[[oxo-[(3R)-1-(1-oxo-3-pyridin-4-ylpropyl)-3-piperidinyl]methyl]amino]-4-pentynoic acid IUPAC Name: (3S)-3-[[(3R)-1-(3-pyridin-4-ylpropanoyl)piperidine-3-carbonyl]amino]pent-4-ynoic acid Traditional Name: (3S)-3-[[(3R)-1-[3-(4-pyridyl)propanoyl]nipecotoyl]amino]pent-4-ynoic acid Formula: C19H23N3O4 MolecularWeight: 357.40362

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Descriptors Computed from Structure

Canonical SMILES:

C#CC(CC(=O)O)NC(=O)C1CCCN(C1)C(=O)CCC2=CC=NC=C2

Isomeric SMILES

C#C[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN(C1)C(=O)CCC2=CC=NC=C2

InChI

InChI=1S/C19H23N3O4/c1-2-16(12-18(24)25)21-19(26)15-4-3-11-22(13-15)17(23)6-5-14-7-9-20-10-8-14/h1,7-10,15-16H,3-6,11-13H2,(H,21,26)(H,24,25)/t15-,16-/m1/s1