2-[[2-[(5-fluoranyl-1-methyl-indol-2-yl)carbonylamino]-4-methylsulfanyl-butanoyl]amino]propanoic acid

Systemtic Name: 2-[[2-[(5-fluoranyl-1-methyl-indol-2-yl)carbonylamino]-4-methylsulfanyl-butanoyl]amino]propanoic acid Openeye Name: 2-[[2-[(5-fluoro-1-methyl-indole-2-carbonyl)amino]-4-methylsulfanyl-butanoyl]amino]propanoic acid CAS Name: 2-[[2-[[(5-fluoro-1-methyl-2-indolyl)-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]amino]propanoic acid IUPAC Name: 2-[[2-[(5-fluoro-1-methylindole-2-carbonyl)amino]-4-methylsulfanylbutanoyl]amino]propanoic acid Traditional Name: 2-[[2-[(5-fluoro-1-methyl-indole-2-carbonyl)amino]-4-(methylthio)butanoyl]amino]propionic acid Formula: C18H22FN3O4S MolecularWeight: 395.448383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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