3-[(3-methyl-1,2-oxazol-5-yl)-[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonyl-amino]propanoic acid

Systemtic Name: 3-[(3-methyl-1,2-oxazol-5-yl)-[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonyl-amino]propanoic acid Openeye Name: 3-[(3-methylisoxazol-5-yl)-[1-[3-(4-piperidyl)propanoyl]piperidine-3-carbonyl]amino]propanoic acid CAS Name: 3-[(3-methyl-5-isoxazolyl)-[oxo-[1-[1-oxo-3-(4-piperidinyl)propyl]-3-piperidinyl]methyl]amino]propanoic acid IUPAC Name: 3-[(3-methyl-1,2-oxazol-5-yl)-[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]propanoic acid Traditional Name: 3-[(3-methylisoxazol-5-yl)-[1-[3-(4-piperidyl)propanoyl]nipecotoyl]amino]propionic acid Formula: C21H32N4O5 MolecularWeight: 420.50258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)N(CCC(=O)O)C(=O)C2CCCN(C2)C(=O)CCC3CCNCC3

Isomeric SMILES

CC1=NOC(=C1)N(CCC(=O)O)C(=O)C2CCCN(C2)C(=O)CCC3CCNCC3

InChI

InChI=1S/C21H32N4O5/c1-15-13-19(30-23-15)25(12-8-20(27)28)21(29)17-3-2-11-24(14-17)18(26)5-4-16-6-9-22-10-7-16/h13,16-17,22H,2-12,14H2,1H3,(H,27,28)