3-[3-[1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]ethanoylamino]-3-methyl-butyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-(methylsulfonylamino)propanoic acid

Systemtic Name: 3-[3-[1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]ethanoylamino]-3-methyl-butyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-(methylsulfonylamino)propanoic acid Openeye Name: 2-(methanesulfonamido)-3-[3-[1-[[2-[3-methoxy-4-(o-tolylcarbamoylamino)phenyl]acetyl]amino]-3-methyl-butyl]-4,5-dihydroisoxazol-5-yl]propanoic acid CAS Name: 2-(methanesulfonamido)-3-[3-[1-[[2-[3-methoxy-4-[[(2-methylanilino)-oxomethyl]amino]phenyl]-1-oxoethyl]amino]-3-methylbutyl]-4,5-dihydroisoxazol-5-yl]propanoic acid IUPAC Name: 2-(methanesulfonamido)-3-[3-[1-[[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]-3-methylbutyl]-4,5-dihydro-1,2-oxazol-5-yl]propanoic acid Traditional Name: 2-(methanesulfonamido)-3-[3-[1-[[2-[3-methoxy-4-(o-tolylcarbamoylamino)phenyl]acetyl]amino]-3-methyl-butyl]-2-isoxazolin-5-yl]propionic acid Formula: C29H39N5O8S MolecularWeight: 617.71366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=C(C=C(C=C2)CC(=O)NC(CC(C)C)C3=NOC(C3)CC(C(=O)O)NS(=O)(=O)C)OC

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=C(C=C(C=C2)CC(=O)NC(CC(C)C)C3=NOC(C3)CC(C(=O)O)NS(=O)(=O)C)OC

InChI

InChI=1S/C29H39N5O8S/c1-17(2)12-23(24-15-20(42-33-24)16-25(28(36)37)34-43(5,39)40)30-27(35)14-19-10-11-22(26(13-19)41-4)32-29(38)31-21-9-7-6-8-18(21)3/h6-11,13,17,20,23,25,34H,12,14-16H2,1-5H3,(H,30,35)(H,36,37)(H2,31,32,38)