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

Systemtic Name: 3-acetamido-3-[[1-[3-(1-phenylmethoxycarbonylpiperidin-4-yl)propanoyl]piperidin-3-yl]carbonylamino]propanoic acid Openeye Name: 3-acetamido-3-[[1-[3-(1-benzyloxycarbonyl-4-piperidyl)propanoyl]piperidine-3-carbonyl]amino]propanoic acid CAS Name: 3-acetamido-3-[[oxo-[1-[1-oxo-3-(1-phenylmethoxycarbonyl-4-piperidinyl)propyl]-3-piperidinyl]methyl]amino]propanoic acid IUPAC Name: 3-acetamido-3-[[1-[3-(1-phenylmethoxycarbonylpiperidin-4-yl)propanoyl]piperidine-3-carbonyl]amino]propanoic acid Traditional Name: 3-acetamido-3-[[1-[3-(1-carbobenzoxy-4-piperidyl)propanoyl]nipecotoyl]amino]propionic acid Formula: C27H38N4O7 MolecularWeight: 530.61322

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)O)NC(=O)C1CCCN(C1)C(=O)CCC2CCN(CC2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC(CC(=O)O)NC(=O)C1CCCN(C1)C(=O)CCC2CCN(CC2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H38N4O7/c1-19(32)28-23(16-25(34)35)29-26(36)22-8-5-13-31(17-22)24(33)10-9-20-11-14-30(15-12-20)27(37)38-18-21-6-3-2-4-7-21/h2-4,6-7,20,22-23H,5,8-18H2,1H3,(H,28,32)(H,29,36)(H,34,35)