3-[2-[1-methyl-5-(4-methylphenyl)carbonyl-pyrrol-2-yl]ethanoylamino]-4-sulfanyl-butanoic acid

Systemtic Name: 3-[2-[1-methyl-5-(4-methylphenyl)carbonyl-pyrrol-2-yl]ethanoylamino]-4-sulfanyl-butanoic acid Openeye Name: 3-[[2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetyl]amino]-4-sulfanyl-butanoic acid CAS Name: 4-mercapto-3-[[2-[1-methyl-5-[(4-methylphenyl)-oxomethyl]-2-pyrrolyl]-1-oxoethyl]amino]butanoic acid IUPAC Name: 3-[[2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetyl]amino]-4-sulfanylbutanoic acid Traditional Name: 4-mercapto-3-[[2-(1-methyl-5-p-toluoyl-pyrrol-2-yl)acetyl]amino]butyric acid Formula: C19H22N2O4S MolecularWeight: 374.45398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC(=O)NC(CC(=O)O)CS

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC(=O)NC(CC(=O)O)CS

InChI

InChI=1S/C19H22N2O4S/c1-12-3-5-13(6-4-12)19(25)16-8-7-15(21(16)2)10-17(22)20-14(11-26)9-18(23)24/h3-8,14,26H,9-11H2,1-2H3,(H,20,22)(H,23,24)