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

Systemtic Name: 3-[3-[3-methyl-1-[2-[5-[(2-methylphenyl)carbamoylamino]pyridin-2-yl]ethanoyl]pyrrolidin-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]-2-(methylsulfonylamino)propanoic acid Openeye Name: 2-(methanesulfonamido)-3-[3-[3-methyl-1-[2-[5-(o-tolylcarbamoylamino)-2-pyridyl]acetyl]pyrrolidin-2-yl]-4,5-dihydroisoxazol-5-yl]propanoic acid CAS Name: 2-(methanesulfonamido)-3-[3-[3-methyl-1-[2-[5-[[(2-methylanilino)-oxomethyl]amino]-2-pyridinyl]-1-oxoethyl]-2-pyrrolidinyl]-4,5-dihydroisoxazol-5-yl]propanoic acid IUPAC Name: 2-(methanesulfonamido)-3-[3-[3-methyl-1-[2-[5-[(2-methylphenyl)carbamoylamino]pyridin-2-yl]acetyl]pyrrolidin-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]propanoic acid Traditional Name: 2-(methanesulfonamido)-3-[3-[3-methyl-1-[2-[5-(o-tolylcarbamoylamino)-2-pyridyl]acetyl]pyrrolidin-2-yl]-2-isoxazolin-5-yl]propionic acid Formula: C27H34N6O7S MolecularWeight: 586.65986

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C1C2=NOC(C2)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=NOC(C2)CC(C(=O)O)NS(=O)(=O)C)C(=O)CC3=NC=C(C=C3)NC(=O)NC4=CC=CC=C4C

InChI

InChI=1S/C27H34N6O7S/c1-16-6-4-5-7-21(16)30-27(37)29-19-9-8-18(28-15-19)12-24(34)33-11-10-17(2)25(33)22-13-20(40-31-22)14-23(26(35)36)32-41(3,38)39/h4-9,15,17,20,23,25,32H,10-14H2,1-3H3,(H,35,36)(H2,29,30,37)