(phenylmethyl) 3-acetamido-3-[[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonylamino]propanoate

Systemtic Name: (phenylmethyl) 3-acetamido-3-[[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonylamino]propanoate Openeye Name: benzyl 3-acetamido-3-[[1-[3-(4-piperidyl)propanoyl]piperidine-3-carbonyl]amino]propanoate CAS Name: 3-acetamido-3-[[oxo-[1-[1-oxo-3-(4-piperidinyl)propyl]-3-piperidinyl]methyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-acetamido-3-[[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]propanoate Traditional Name: 3-acetamido-3-[[1-[3-(4-piperidyl)propanoyl]nipecotoyl]amino]propionic acid benzyl ester Formula: C26H38N4O5 MolecularWeight: 486.60372

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OCC1=CC=CC=C1)NC(=O)C2CCCN(C2)C(=O)CCC3CCNCC3

Isomeric SMILES

CC(=O)NC(CC(=O)OCC1=CC=CC=C1)NC(=O)C2CCCN(C2)C(=O)CCC3CCNCC3

InChI

InChI=1S/C26H38N4O5/c1-19(31)28-23(16-25(33)35-18-21-6-3-2-4-7-21)29-26(34)22-8-5-15-30(17-22)24(32)10-9-20-11-13-27-14-12-20/h2-4,6-7,20,22-23,27H,5,8-18H2,1H3,(H,28,31)(H,29,34)