4-[[1-[(4-methoxycarbonylphenyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-oxidanylidene-3-thiophen-3-yl-butanoic acid

Systemtic Name: 4-[[1-[(4-methoxycarbonylphenyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-oxidanylidene-3-thiophen-3-yl-butanoic acid Openeye Name: 4-[[1-[(4-methoxycarbonylphenyl)carbamoyl]-3-methyl-butyl]amino]-4-oxo-3-(3-thienyl)butanoic acid CAS Name: 4-[[1-(4-methoxycarbonylanilino)-4-methyl-1-oxopentan-2-yl]amino]-4-oxo-3-(3-thiophenyl)butanoic acid IUPAC Name: 4-[[1-(4-methoxycarbonylanilino)-4-methyl-1-oxopentan-2-yl]amino]-4-oxo-3-thiophen-3-ylbutanoic acid Traditional Name: 4-[[1-[(4-carbomethoxyphenyl)carbamoyl]-3-methyl-butyl]amino]-4-keto-3-(3-thienyl)butyric acid Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1=CC=C(C=C1)C(=O)OC)NC(=O)C(CC(=O)O)C2=CSC=C2

Isomeric SMILES

CC(C)CC(C(=O)NC1=CC=C(C=C1)C(=O)OC)NC(=O)C(CC(=O)O)C2=CSC=C2

InChI

InChI=1S/C22H26N2O6S/c1-13(2)10-18(21(28)23-16-6-4-14(5-7-16)22(29)30-3)24-20(27)17(11-19(25)26)15-8-9-31-12-15/h4-9,12-13,17-18H,10-11H2,1-3H3,(H,23,28)(H,24,27)(H,25,26)