(2S)-2-[(5-fluoranyl-1-methyl-indol-2-yl)carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[(5-fluoranyl-1-methyl-indol-2-yl)carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[(5-fluoro-1-methyl-indole-2-carbonyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[(5-fluoro-1-methyl-2-indolyl)-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[(5-fluoro-1-methylindole-2-carbonyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[(5-fluoro-1-methyl-indole-2-carbonyl)amino]-4-(methylthio)butyric acid Formula: C15H17FN2O3S MolecularWeight: 324.370483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)F)C=C1C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CN1C2=C(C=C(C=C2)F)C=C1C(=O)N[C@@H](CCSC)C(=O)O

InChI

InChI=1S/C15H17FN2O3S/c1-18-12-4-3-10(16)7-9(12)8-13(18)14(19)17-11(15(20)21)5-6-22-2/h3-4,7-8,11H,5-6H2,1-2H3,(H,17,19)(H,20,21)/t11-/m0/s1