3-[2-(4-methoxyphenyl)ethylcarbamoyl-[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonyl-amino]propanoic acid

Systemtic Name: 3-[2-(4-methoxyphenyl)ethylcarbamoyl-[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonyl-amino]propanoic acid Openeye Name: 3-[2-(4-methoxyphenyl)ethylcarbamoyl-[1-[3-(4-piperidyl)propanoyl]piperidine-3-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-(4-methoxyphenyl)ethylamino]-oxomethyl]-[oxo-[1-[1-oxo-3-(4-piperidinyl)propyl]-3-piperidinyl]methyl]amino]propanoic acid IUPAC Name: 3-[2-(4-methoxyphenyl)ethylcarbamoyl-[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]propanoic acid Traditional Name: 3-[2-(4-methoxyphenyl)ethylcarbamoyl-[1-[3-(4-piperidyl)propanoyl]nipecotoyl]amino]propionic acid Formula: C27H40N4O6 MolecularWeight: 516.6297

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40N4O6/c1-37-23-7-4-20(5-8-23)12-16-29-27(36)31(18-13-25(33)34)26(35)22-3-2-17-30(19-22)24(32)9-6-21-10-14-28-15-11-21/h4-5,7-8,21-22,28H,2-3,6,9-19H2,1H3,(H,29,36)(H,33,34)