3-[[6-[[1-(4-methylphenyl)cyclopentyl]carbonylamino]-2-thiophen-2-yl-hexanoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[6-[[1-(4-methylphenyl)cyclopentyl]carbonylamino]-2-thiophen-2-yl-hexanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-oxo-3-[[6-[[1-(p-tolyl)cyclopentanecarbonyl]amino]-2-(2-thienyl)hexanoyl]amino]butanoic acid CAS Name: 3-[[6-[[[1-(4-methylphenyl)cyclopentyl]-oxomethyl]amino]-1-oxo-2-thiophen-2-ylhexyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[6-[[1-(4-methylphenyl)cyclopentanecarbonyl]amino]-2-thiophen-2-ylhexanoyl]amino]-4-oxobutanoic acid Traditional Name: 4-keto-3-[[6-[[1-(p-tolyl)cyclopentanecarbonyl]amino]-2-(2-thienyl)hexanoyl]amino]butyric acid Formula: C27H34N2O5S MolecularWeight: 498.63426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2(CCCC2)C(=O)NCCCCC(C3=CC=CS3)C(=O)NC(CC(=O)O)C=O

Isomeric SMILES

CC1=CC=C(C=C1)C2(CCCC2)C(=O)NCCCCC(C3=CC=CS3)C(=O)NC(CC(=O)O)C=O

InChI

InChI=1S/C27H34N2O5S/c1-19-9-11-20(12-10-19)27(13-3-4-14-27)26(34)28-15-5-2-7-22(23-8-6-16-35-23)25(33)29-21(18-30)17-24(31)32/h6,8-12,16,18,21-22H,2-5,7,13-15,17H2,1H3,(H,28,34)(H,29,33)(H,31,32)