2-azanyl-3-[4-[(3-methylphenyl)amino]-4-oxidanylidene-butyl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[4-[(3-methylphenyl)amino]-4-oxidanylidene-butyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[4-(3-methylanilino)-4-oxo-butyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[4-(3-methylanilino)-4-oxobutyl]thio]propanoic acid IUPAC Name: 2-amino-3-[4-(3-methylanilino)-4-oxobutyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[4-keto-4-(m-toluidino)butyl]thio]propionic acid Formula: C14H20N2O3S MolecularWeight: 296.3852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CCCSCC(C(=O)O)N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CCCSCC(C(=O)O)N

InChI

InChI=1S/C14H20N2O3S/c1-10-4-2-5-11(8-10)16-13(17)6-3-7-20-9-12(15)14(18)19/h2,4-5,8,12H,3,6-7,9,15H2,1H3,(H,16,17)(H,18,19)