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

Systemtic Name: 2-[2-[(5-fluoranyl-1-methyl-indol-2-yl)carbonylamino]propanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[2-[(5-fluoro-1-methyl-indole-2-carbonyl)amino]propanoylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-[[(5-fluoro-1-methyl-2-indolyl)-oxomethyl]amino]-1-oxopropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[2-[(5-fluoro-1-methylindole-2-carbonyl)amino]propanoylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[2-[(5-fluoro-1-methyl-indole-2-carbonyl)amino]propanoylamino]-4-(methylthio)butyric acid Formula: C18H22FN3O4S MolecularWeight: 395.448383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCSC)C(=O)O)NC(=O)C1=CC2=C(N1C)C=CC(=C2)F

Isomeric SMILES

CC(C(=O)NC(CCSC)C(=O)O)NC(=O)C1=CC2=C(N1C)C=CC(=C2)F

InChI

InChI=1S/C18H22FN3O4S/c1-10(16(23)21-13(18(25)26)6-7-27-3)20-17(24)15-9-11-8-12(19)4-5-14(11)22(15)2/h4-5,8-10,13H,6-7H2,1-3H3,(H,20,24)(H,21,23)(H,25,26)