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

Systemtic Name: 2-[[2-[(5-fluoranyl-1-methyl-indol-2-yl)carbonylamino]-3-methyl-butanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-[(5-fluoro-1-methyl-indole-2-carbonyl)amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[[(5-fluoro-1-methyl-2-indolyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-[(5-fluoro-1-methylindole-2-carbonyl)amino]-3-methylbutanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-[(5-fluoro-1-methyl-indole-2-carbonyl)amino]-3-methyl-butanoyl]amino]-4-methyl-valeric acid Formula: C21H28FN3O4 MolecularWeight: 405.463123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28FN3O4/c1-11(2)8-15(21(28)29)23-20(27)18(12(3)4)24-19(26)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)