5-methyl-2-[[6-[[5-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]thiophen-2-yl]amino]-6-oxidanylidene-hexanoyl]amino]thiophene-3-carboxylic acid

Systemtic Name: 5-methyl-2-[[6-[[5-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]thiophen-2-yl]amino]-6-oxidanylidene-hexanoyl]amino]thiophene-3-carboxylic acid Openeye Name: 2-[[6-[(3-tert-butoxycarbonyl-5-methyl-2-thienyl)amino]-6-oxo-hexanoyl]amino]-5-methyl-thiophene-3-carboxylic acid CAS Name: 5-methyl-2-[[6-[[5-methyl-3-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-thiophenyl]amino]-1,6-dioxohexyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 5-methyl-2-[[6-[[5-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]thiophen-2-yl]amino]-6-oxohexanoyl]amino]thiophene-3-carboxylic acid Traditional Name: 2-[[6-[(3-tert-butoxycarbonyl-5-methyl-2-thienyl)amino]-6-keto-hexanoyl]amino]-5-methyl-3-thenoic acid Formula: C22H28N2O6S2 MolecularWeight: 480.59752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)CCCCC(=O)NC2=C(C=C(S2)C)C(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)CCCCC(=O)NC2=C(C=C(S2)C)C(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C22H28N2O6S2/c1-12-10-14(20(27)28)18(31-12)23-16(25)8-6-7-9-17(26)24-19-15(11-13(2)32-19)21(29)30-22(3,4)5/h10-11H,6-9H2,1-5H3,(H,23,25)(H,24,26)(H,27,28)