2-[[6-[azanyl(phenyl)carbamoyl]pyridin-3-yl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[6-[azanyl(phenyl)carbamoyl]pyridin-3-yl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[6-[amino(phenyl)carbamoyl]pyridine-3-carbonyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[6-[(N-aminoanilino)-oxomethyl]-3-pyridinyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[6-[amino(phenyl)carbamoyl]pyridine-3-carbonyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[6-[amino(phenyl)carbamoyl]nicotinoyl]amino]-4-(methylthio)butyric acid Formula: C18H20N4O4S MolecularWeight: 388.4408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=CN=C(C=C1)C(=O)N(C2=CC=CC=C2)N

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=CN=C(C=C1)C(=O)N(C2=CC=CC=C2)N

InChI

InChI=1S/C18H20N4O4S/c1-27-10-9-15(18(25)26)21-16(23)12-7-8-14(20-11-12)17(24)22(19)13-5-3-2-4-6-13/h2-8,11,15H,9-10,19H2,1H3,(H,21,23)(H,25,26)