2,2-dimethyl-3-[3-[1-[2-[6-(phenylcarbamoylamino)pyridin-3-yl]ethanoyl]pyrrolidin-2-yl]-1,2,4-triazol-1-yl]propanoic acid

Systemtic Name: 2,2-dimethyl-3-[3-[1-[2-[6-(phenylcarbamoylamino)pyridin-3-yl]ethanoyl]pyrrolidin-2-yl]-1,2,4-triazol-1-yl]propanoic acid Openeye Name: 2,2-dimethyl-3-[3-[1-[2-[6-(phenylcarbamoylamino)-3-pyridyl]acetyl]pyrrolidin-2-yl]-1,2,4-triazol-1-yl]propanoic acid CAS Name: 3-[3-[1-[2-[6-[[anilino(oxo)methyl]amino]-3-pyridinyl]-1-oxoethyl]-2-pyrrolidinyl]-1,2,4-triazol-1-yl]-2,2-dimethylpropanoic acid IUPAC Name: 2,2-dimethyl-3-[3-[1-[2-[6-(phenylcarbamoylamino)pyridin-3-yl]acetyl]pyrrolidin-2-yl]-1,2,4-triazol-1-yl]propanoic acid Traditional Name: 2,2-dimethyl-3-[3-[1-[2-[6-(phenylcarbamoylamino)-3-pyridyl]acetyl]pyrrolidin-2-yl]-1,2,4-triazol-1-yl]propionic acid Formula: C25H29N7O4 MolecularWeight: 491.54226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN1C=NC(=N1)C2CCCN2C(=O)CC3=CN=C(C=C3)NC(=O)NC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(C)(CN1C=NC(=N1)C2CCCN2C(=O)CC3=CN=C(C=C3)NC(=O)NC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H29N7O4/c1-25(2,23(34)35)15-31-16-27-22(30-31)19-9-6-12-32(19)21(33)13-17-10-11-20(26-14-17)29-24(36)28-18-7-4-3-5-8-18/h3-5,7-8,10-11,14,16,19H,6,9,12-13,15H2,1-2H3,(H,34,35)(H2,26,28,29,36)