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

Systemtic Name: 3-[4-[1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]ethanoylamino]-3-methyl-butyl]thiophen-2-yl]-2-(methylsulfonylamino)propanoic acid Openeye Name: 2-(methanesulfonamido)-3-[4-[1-[[2-[3-methoxy-4-(o-tolylcarbamoylamino)phenyl]acetyl]amino]-3-methyl-butyl]-2-thienyl]propanoic acid CAS Name: 2-(methanesulfonamido)-3-[4-[1-[[2-[3-methoxy-4-[[(2-methylanilino)-oxomethyl]amino]phenyl]-1-oxoethyl]amino]-3-methylbutyl]-2-thiophenyl]propanoic acid IUPAC Name: 2-(methanesulfonamido)-3-[4-[1-[[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]-3-methylbutyl]thiophen-2-yl]propanoic acid Traditional Name: 2-(methanesulfonamido)-3-[4-[1-[[2-[3-methoxy-4-(o-tolylcarbamoylamino)phenyl]acetyl]amino]-3-methyl-butyl]-2-thienyl]propionic acid Formula: C30H38N4O7S2 MolecularWeight: 630.77532

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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=CSC(=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=CSC(=C3)CC(C(=O)O)NS(=O)(=O)C)OC

InChI

InChI=1S/C30H38N4O7S2/c1-18(2)12-25(21-15-22(42-17-21)16-26(29(36)37)34-43(5,39)40)31-28(35)14-20-10-11-24(27(13-20)41-4)33-30(38)32-23-9-7-6-8-19(23)3/h6-11,13,15,17-18,25-26,34H,12,14,16H2,1-5H3,(H,31,35)(H,36,37)(H2,32,33,38)