2-[[2-[(5-fluoranyl-1-methyl-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[2-[(5-fluoranyl-1-methyl-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[2-[(5-fluoro-1-methyl-indole-2-carbonyl)amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[[(5-fluoro-1-methyl-2-indolyl)-oxomethyl]amino]-4-methyl-1-oxopentyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-[(5-fluoro-1-methylindole-2-carbonyl)amino]-4-methylpentanoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-[(5-fluoro-1-methyl-indole-2-carbonyl)amino]-4-methyl-pentanoyl]amino]-3-methyl-butyric acid Formula: C21H28FN3O4 MolecularWeight: 405.463123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28FN3O4/c1-11(2)8-15(19(26)24-18(12(3)4)21(28)29)23-20(27)17-10-13-9-14(22)6-7-16(13)25(17)5/h6-7,9-12,15,18H,8H2,1-5H3,(H,23,27)(H,24,26)(H,28,29)