3-[acetamido-[(2R)-1-(3-piperidin-4-ylpropanoyl)azepan-2-yl]carbonyl-amino]propanoic acid

Systemtic Name: 3-[acetamido-[(2R)-1-(3-piperidin-4-ylpropanoyl)azepan-2-yl]carbonyl-amino]propanoic acid Openeye Name: 3-[acetamido-[(2R)-1-[3-(4-piperidyl)propanoyl]azepane-2-carbonyl]amino]propanoic acid CAS Name: 3-[acetamido-[oxo-[(2R)-1-[1-oxo-3-(4-piperidinyl)propyl]-2-azepanyl]methyl]amino]propanoic acid IUPAC Name: 3-[acetamido-[(2R)-1-(3-piperidin-4-ylpropanoyl)azepane-2-carbonyl]amino]propanoic acid Traditional Name: 3-[acetamido-[(2R)-1-[3-(4-piperidyl)propanoyl]azepane-2-carbonyl]amino]propionic acid Formula: C20H34N4O5 MolecularWeight: 410.50776

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NN(CCC(=O)O)C(=O)C1CCCCCN1C(=O)CCC2CCNCC2

Isomeric SMILES

CC(=O)NN(CCC(=O)O)C(=O)[C@H]1CCCCCN1C(=O)CCC2CCNCC2

InChI

InChI=1S/C20H34N4O5/c1-15(25)22-24(14-10-19(27)28)20(29)17-5-3-2-4-13-23(17)18(26)7-6-16-8-11-21-12-9-16/h16-17,21H,2-14H2,1H3,(H,22,25)(H,27,28)/t17-/m1/s1