(3S)-3-[[(3R)-1-(1-piperidin-4-ylpiperidin-4-yl)carbonylpiperidin-3-yl]carbonylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: (3S)-3-[[(3R)-1-(1-piperidin-4-ylpiperidin-4-yl)carbonylpiperidin-3-yl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: (3S)-3-[[(3R)-1-[1-(4-piperidyl)piperidine-4-carbonyl]piperidine-3-carbonyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: (3S)-3-[[oxo-[(3R)-1-[oxo-[1-(4-piperidinyl)-4-piperidinyl]methyl]-3-piperidinyl]methyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: (3S)-3-[[(3R)-1-(1-piperidin-4-ylpiperidine-4-carbonyl)piperidine-3-carbonyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: (3S)-3-[[(3R)-1-[1-(4-piperidyl)isonipecotoyl]nipecotoyl]amino]-3-(3-pyridyl)propionic acid Formula: C25H37N5O4 MolecularWeight: 471.59238

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2CCN(CC2)C3CCNCC3)C(=O)NC(CC(=O)O)C4=CN=CC=C4

Isomeric SMILES

C1C[C@H](CN(C1)C(=O)C2CCN(CC2)C3CCNCC3)C(=O)N[C@@H](CC(=O)O)C4=CN=CC=C4

InChI

InChI=1S/C25H37N5O4/c31-23(32)15-22(19-3-1-9-27-16-19)28-24(33)20-4-2-12-30(17-20)25(34)18-7-13-29(14-8-18)21-5-10-26-11-6-21/h1,3,9,16,18,20-22,26H,2,4-8,10-15,17H2,(H,28,33)(H,31,32)/t20-,22+/m1/s1