(3S)-3-[[(2R)-4-(3-piperidin-4-ylpropanoyl)piperazin-2-yl]carbonylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: (3S)-3-[[(2R)-4-(3-piperidin-4-ylpropanoyl)piperazin-2-yl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: (3S)-3-[[(2R)-4-[3-(4-piperidyl)propanoyl]piperazine-2-carbonyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: (3S)-3-[[oxo-[(2R)-4-[1-oxo-3-(4-piperidinyl)propyl]-2-piperazinyl]methyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: (3S)-3-[[(2R)-4-(3-piperidin-4-ylpropanoyl)piperazine-2-carbonyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: (3S)-3-[[(2R)-4-[3-(4-piperidyl)propanoyl]piperazine-2-carbonyl]amino]-3-(3-pyridyl)propionic acid Formula: C21H31N5O4 MolecularWeight: 417.50194

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCC(=O)N2CCNC(C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3

Isomeric SMILES

C1CNCCC1CCC(=O)N2CCN[C@H](C2)C(=O)N[C@@H](CC(=O)O)C3=CN=CC=C3

InChI

InChI=1S/C21H31N5O4/c27-19(4-3-15-5-8-22-9-6-15)26-11-10-24-18(14-26)21(30)25-17(12-20(28)29)16-2-1-7-23-13-16/h1-2,7,13,15,17-18,22,24H,3-6,8-12,14H2,(H,25,30)(H,28,29)/t17-,18+/m0/s1