2,2-dimethyl-3-[5-[1-[2-[6-(phenylcarbamoylamino)pyridin-3-yl]ethanoyl]pyrrolidin-2-yl]thiophen-2-yl]propanoic acid

Systemtic Name: 2,2-dimethyl-3-[5-[1-[2-[6-(phenylcarbamoylamino)pyridin-3-yl]ethanoyl]pyrrolidin-2-yl]thiophen-2-yl]propanoic acid Openeye Name: 2,2-dimethyl-3-[5-[1-[2-[6-(phenylcarbamoylamino)-3-pyridyl]acetyl]pyrrolidin-2-yl]-2-thienyl]propanoic acid CAS Name: 3-[5-[1-[2-[6-[[anilino(oxo)methyl]amino]-3-pyridinyl]-1-oxoethyl]-2-pyrrolidinyl]-2-thiophenyl]-2,2-dimethylpropanoic acid IUPAC Name: 2,2-dimethyl-3-[5-[1-[2-[6-(phenylcarbamoylamino)pyridin-3-yl]acetyl]pyrrolidin-2-yl]thiophen-2-yl]propanoic acid Traditional Name: 2,2-dimethyl-3-[5-[1-[2-[6-(phenylcarbamoylamino)-3-pyridyl]acetyl]pyrrolidin-2-yl]-2-thienyl]propionic acid Formula: C27H30N4O4S MolecularWeight: 506.6165

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC=C(S1)C2CCCN2C(=O)CC3=CN=C(C=C3)NC(=O)NC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(C)(CC1=CC=C(S1)C2CCCN2C(=O)CC3=CN=C(C=C3)NC(=O)NC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C27H30N4O4S/c1-27(2,25(33)34)16-20-11-12-22(36-20)21-9-6-14-31(21)24(32)15-18-10-13-23(28-17-18)30-26(35)29-19-7-4-3-5-8-19/h3-5,7-8,10-13,17,21H,6,9,14-16H2,1-2H3,(H,33,34)(H2,28,29,30,35)