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

Systemtic Name: 3-[[(4-methoxyphenyl)carbonylamino]-[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonyl-amino]propanoic acid Openeye Name: 3-[[(4-methoxybenzoyl)amino]-[1-[3-(4-piperidyl)propanoyl]piperidine-3-carbonyl]amino]propanoic acid CAS Name: 3-[[[(4-methoxyphenyl)-oxomethyl]amino]-[oxo-[1-[1-oxo-3-(4-piperidinyl)propyl]-3-piperidinyl]methyl]amino]propanoic acid IUPAC Name: 3-[[(4-methoxybenzoyl)amino]-[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]propanoic acid Traditional Name: 3-[(p-anisoylamino)-[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)NN(CCC(=O)O)C(=O)C2CCCN(C2)C(=O)CCC3CCNCC3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NN(CCC(=O)O)C(=O)C2CCCN(C2)C(=O)CCC3CCNCC3

InChI

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