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

Systemtic Name: 1-[2-[(5-fluoranyl-1-methyl-indol-2-yl)carbonylamino]-4-methylsulfanyl-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[(5-fluoro-1-methyl-indole-2-carbonyl)amino]-4-methylsulfanyl-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[(5-fluoro-1-methyl-2-indolyl)-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[(5-fluoro-1-methylindole-2-carbonyl)amino]-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(5-fluoro-1-methyl-indole-2-carbonyl)amino]-4-(methylthio)butanoyl]proline Formula: C20H24FN3O4S MolecularWeight: 421.485663

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)F)C=C1C(=O)NC(CCSC)C(=O)N3CCCC3C(=O)O

Isomeric SMILES

CN1C2=C(C=C(C=C2)F)C=C1C(=O)NC(CCSC)C(=O)N3CCCC3C(=O)O

InChI

InChI=1S/C20H24FN3O4S/c1-23-15-6-5-13(21)10-12(15)11-17(23)18(25)22-14(7-9-29-2)19(26)24-8-3-4-16(24)20(27)28/h5-6,10-11,14,16H,3-4,7-9H2,1-2H3,(H,22,25)(H,27,28)