3-[[1-[3-(1-phenylmethoxycarbonylpiperidin-4-yl)propanoyl]piperidin-3-yl]carbonylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[1-[3-(1-phenylmethoxycarbonylpiperidin-4-yl)propanoyl]piperidin-3-yl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[1-[3-(1-benzyloxycarbonyl-4-piperidyl)propanoyl]piperidine-3-carbonyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[oxo-[1-[1-oxo-3-(1-phenylmethoxycarbonyl-4-piperidinyl)propyl]-3-piperidinyl]methyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[1-[3-(1-phenylmethoxycarbonylpiperidin-4-yl)propanoyl]piperidine-3-carbonyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[1-[3-(1-carbobenzoxy-4-piperidyl)propanoyl]nipecotoyl]amino]-3-(3-pyridyl)propionic acid Formula: C30H38N4O6 MolecularWeight: 550.64592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCC2CCN(CC2)C(=O)OCC3=CC=CC=C3)C(=O)NC(CC(=O)O)C4=CN=CC=C4

Isomeric SMILES

C1CC(CN(C1)C(=O)CCC2CCN(CC2)C(=O)OCC3=CC=CC=C3)C(=O)NC(CC(=O)O)C4=CN=CC=C4

InChI

InChI=1S/C30H38N4O6/c35-27(11-10-22-12-16-33(17-13-22)30(39)40-21-23-6-2-1-3-7-23)34-15-5-9-25(20-34)29(38)32-26(18-28(36)37)24-8-4-14-31-19-24/h1-4,6-8,14,19,22,25-26H,5,9-13,15-18,20-21H2,(H,32,38)(H,36,37)