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

Systemtic Name: 4-[[2-[(5-fluoranyl-1-methyl-indol-2-yl)carbonylamino]-3-methyl-butanoyl]amino]butanoic acid Openeye Name: 4-[[2-[(5-fluoro-1-methyl-indole-2-carbonyl)amino]-3-methyl-butanoyl]amino]butanoic acid CAS Name: 4-[[2-[[(5-fluoro-1-methyl-2-indolyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]butanoic acid IUPAC Name: 4-[[2-[(5-fluoro-1-methylindole-2-carbonyl)amino]-3-methylbutanoyl]amino]butanoic acid Traditional Name: 4-[[2-[(5-fluoro-1-methyl-indole-2-carbonyl)amino]-3-methyl-butanoyl]amino]butyric acid Formula: C19H24FN3O4 MolecularWeight: 377.409963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24FN3O4/c1-11(2)17(19(27)21-8-4-5-16(24)25)22-18(26)15-10-12-9-13(20)6-7-14(12)23(15)3/h6-7,9-11,17H,4-5,8H2,1-3H3,(H,21,27)(H,22,26)(H,24,25)