3-[[6-[2-(2-methylphenyl)ethanoylamino]-2-thiophen-2-yl-hexanoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[6-[2-(2-methylphenyl)ethanoylamino]-2-thiophen-2-yl-hexanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[6-[[2-(o-tolyl)acetyl]amino]-2-(2-thienyl)hexanoyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[6-[[2-(2-methylphenyl)-1-oxoethyl]amino]-1-oxo-2-thiophen-2-ylhexyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[6-[[2-(2-methylphenyl)acetyl]amino]-2-thiophen-2-ylhexanoyl]amino]-4-oxobutanoic acid Traditional Name: 4-keto-3-[[6-[[2-(o-tolyl)acetyl]amino]-2-(2-thienyl)hexanoyl]amino]butyric acid Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(=O)NCCCCC(C2=CC=CS2)C(=O)NC(CC(=O)O)C=O

Isomeric SMILES

CC1=CC=CC=C1CC(=O)NCCCCC(C2=CC=CS2)C(=O)NC(CC(=O)O)C=O

InChI

InChI=1S/C23H28N2O5S/c1-16-7-2-3-8-17(16)13-21(27)24-11-5-4-9-19(20-10-6-12-31-20)23(30)25-18(15-26)14-22(28)29/h2-3,6-8,10,12,15,18-19H,4-5,9,11,13-14H2,1H3,(H,24,27)(H,25,30)(H,28,29)