2-[[2-[(5-fluoranyl-1-methyl-indol-2-yl)carbonylamino]-3-methyl-pentanoyl]amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[2-[(5-fluoranyl-1-methyl-indol-2-yl)carbonylamino]-3-methyl-pentanoyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[2-[(5-fluoro-1-methyl-indole-2-carbonyl)amino]-3-methyl-pentanoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[[(5-fluoro-1-methyl-2-indolyl)-oxomethyl]amino]-3-methyl-1-oxopentyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-[(5-fluoro-1-methylindole-2-carbonyl)amino]-3-methylpentanoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-[(5-fluoro-1-methyl-indole-2-carbonyl)amino]-3-methyl-pentanoyl]amino]-3-methyl-butyric acid Formula: C21H28FN3O4 MolecularWeight: 405.463123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28FN3O4/c1-6-12(4)18(20(27)23-17(11(2)3)21(28)29)24-19(26)16-10-13-9-14(22)7-8-15(13)25(16)5/h7-12,17-18H,6H2,1-5H3,(H,23,27)(H,24,26)(H,28,29)