3-[[6-[(3,4-dimethylphenyl)carbonylamino]-2-thiophen-2-yl-hexanoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[6-[(3,4-dimethylphenyl)carbonylamino]-2-thiophen-2-yl-hexanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[6-[(3,4-dimethylbenzoyl)amino]-2-(2-thienyl)hexanoyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[6-[[(3,4-dimethylphenyl)-oxomethyl]amino]-1-oxo-2-thiophen-2-ylhexyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[6-[(3,4-dimethylbenzoyl)amino]-2-thiophen-2-ylhexanoyl]amino]-4-oxobutanoic acid Traditional Name: 3-[[6-[(3,4-dimethylbenzoyl)amino]-2-(2-thienyl)hexanoyl]amino]-4-keto-butyric acid Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCCCC(C2=CC=CS2)C(=O)NC(CC(=O)O)C=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCCCC(C2=CC=CS2)C(=O)NC(CC(=O)O)C=O)C

InChI

InChI=1S/C23H28N2O5S/c1-15-8-9-17(12-16(15)2)22(29)24-10-4-3-6-19(20-7-5-11-31-20)23(30)25-18(14-26)13-21(27)28/h5,7-9,11-12,14,18-19H,3-4,6,10,13H2,1-2H3,(H,24,29)(H,25,30)(H,27,28)