2-[(4-methoxyphenyl)carbonylamino]-3-[[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonylamino]propanoic acid

Systemtic Name: 2-[(4-methoxyphenyl)carbonylamino]-3-[[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonylamino]propanoic acid Openeye Name: 2-[(4-methoxybenzoyl)amino]-3-[[1-[3-(4-piperidyl)propanoyl]piperidine-3-carbonyl]amino]propanoic acid CAS Name: 2-[[(4-methoxyphenyl)-oxomethyl]amino]-3-[[oxo-[1-[1-oxo-3-(4-piperidinyl)propyl]-3-piperidinyl]methyl]amino]propanoic acid IUPAC Name: 2-[(4-methoxybenzoyl)amino]-3-[[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]propanoic acid Traditional Name: 2-(p-anisoylamino)-3-[[1-[3-(4-piperidyl)propanoyl]nipecotoyl]amino]propionic acid Formula: C25H36N4O6 MolecularWeight: 488.57654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC(CNC(=O)C2CCCN(C2)C(=O)CCC3CCNCC3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC(CNC(=O)C2CCCN(C2)C(=O)CCC3CCNCC3)C(=O)O

InChI

InChI=1S/C25H36N4O6/c1-35-20-7-5-18(6-8-20)24(32)28-21(25(33)34)15-27-23(31)19-3-2-14-29(16-19)22(30)9-4-17-10-12-26-13-11-17/h5-8,17,19,21,26H,2-4,9-16H2,1H3,(H,27,31)(H,28,32)(H,33,34)