4-methyl-2-[[3-methyl-4-(thiophen-2-ylcarbonylamino)phenyl]carbonylamino]pentanoic acid

Systemtic Name: 4-methyl-2-[[3-methyl-4-(thiophen-2-ylcarbonylamino)phenyl]carbonylamino]pentanoic acid Openeye Name: 4-methyl-2-[[3-methyl-4-(thiophene-2-carbonylamino)benzoyl]amino]pentanoic acid CAS Name: 4-methyl-2-[[[3-methyl-4-[[oxo(thiophen-2-yl)methyl]amino]phenyl]-oxomethyl]amino]pentanoic acid IUPAC Name: 4-methyl-2-[[3-methyl-4-(thiophene-2-carbonylamino)benzoyl]amino]pentanoic acid Traditional Name: 4-methyl-2-[[3-methyl-4-(2-thenoylamino)benzoyl]amino]valeric acid Formula: C19H22N2O4S MolecularWeight: 374.45398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O4S/c1-11(2)9-15(19(24)25)21-17(22)13-6-7-14(12(3)10-13)20-18(23)16-5-4-8-26-16/h4-8,10-11,15H,9H2,1-3H3,(H,20,23)(H,21,22)(H,24,25)