3-[4-[3-methyl-1-[2-[5-[(2-methylphenyl)carbamoylamino]pyridin-2-yl]ethanoyl]pyrrolidin-2-yl]imidazol-1-yl]-2-(methylsulfonylamino)propanoic acid

Systemtic Name: 3-[4-[3-methyl-1-[2-[5-[(2-methylphenyl)carbamoylamino]pyridin-2-yl]ethanoyl]pyrrolidin-2-yl]imidazol-1-yl]-2-(methylsulfonylamino)propanoic acid Openeye Name: 2-(methanesulfonamido)-3-[4-[3-methyl-1-[2-[5-(o-tolylcarbamoylamino)-2-pyridyl]acetyl]pyrrolidin-2-yl]imidazol-1-yl]propanoic acid CAS Name: 2-(methanesulfonamido)-3-[4-[3-methyl-1-[2-[5-[[(2-methylanilino)-oxomethyl]amino]-2-pyridinyl]-1-oxoethyl]-2-pyrrolidinyl]-1-imidazolyl]propanoic acid IUPAC Name: 2-(methanesulfonamido)-3-[4-[3-methyl-1-[2-[5-[(2-methylphenyl)carbamoylamino]pyridin-2-yl]acetyl]pyrrolidin-2-yl]imidazol-1-yl]propanoic acid Traditional Name: 2-(methanesulfonamido)-3-[4-[3-methyl-1-[2-[5-(o-tolylcarbamoylamino)-2-pyridyl]acetyl]pyrrolidin-2-yl]imidazol-1-yl]propionic acid Formula: C27H33N7O6S MolecularWeight: 583.65922

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C1C2=CN(C=N2)CC(C(=O)O)NS(=O)(=O)C)C(=O)CC3=NC=C(C=C3)NC(=O)NC4=CC=CC=C4C

Isomeric SMILES

CC1CCN(C1C2=CN(C=N2)CC(C(=O)O)NS(=O)(=O)C)C(=O)CC3=NC=C(C=C3)NC(=O)NC4=CC=CC=C4C

InChI

InChI=1S/C27H33N7O6S/c1-17-6-4-5-7-21(17)31-27(38)30-20-9-8-19(28-13-20)12-24(35)34-11-10-18(2)25(34)22-14-33(16-29-22)15-23(26(36)37)32-41(3,39)40/h4-9,13-14,16,18,23,25,32H,10-12,15H2,1-3H3,(H,36,37)(H2,30,31,38)