2-[[4-[1-[2-(dimethylaminomethyl)-1,3-oxazol-5-yl]pentoxymethyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[[4-[1-[2-(dimethylaminomethyl)-1,3-oxazol-5-yl]pentoxymethyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfonyl-butanoic acid Openeye Name: 2-[[4-[1-[2-(dimethylaminomethyl)oxazol-5-yl]pentoxymethyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfonyl-butanoic acid CAS Name: 2-[[[4-[1-[2-(dimethylaminomethyl)-5-oxazolyl]pentoxymethyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[[4-[1-[2-(dimethylaminomethyl)-1,3-oxazol-5-yl]pentoxymethyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfonylbutanoic acid Traditional Name: 2-[[4-[1-[2-(dimethylaminomethyl)oxazol-5-yl]pentoxymethyl]-2-(o-tolyl)benzoyl]amino]-4-mesyl-butyric acid Formula: C31H41N3O7S MolecularWeight: 599.73814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CN=C(O1)CN(C)C)OCC2=CC(=C(C=C2)C(=O)NC(CCS(=O)(=O)C)C(=O)O)C3=CC=CC=C3C

Isomeric SMILES

CCCCC(C1=CN=C(O1)CN(C)C)OCC2=CC(=C(C=C2)C(=O)NC(CCS(=O)(=O)C)C(=O)O)C3=CC=CC=C3C

InChI

InChI=1S/C31H41N3O7S/c1-6-7-12-27(28-18-32-29(41-28)19-34(3)4)40-20-22-13-14-24(25(17-22)23-11-9-8-10-21(23)2)30(35)33-26(31(36)37)15-16-42(5,38)39/h8-11,13-14,17-18,26-27H,6-7,12,15-16,19-20H2,1-5H3,(H,33,35)(H,36,37)