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

Systemtic Name: 3-[[2-[(5-fluoranyl-1-methyl-indol-2-yl)carbonylamino]-3-methyl-pentanoyl]amino]propanoic acid Openeye Name: 3-[[2-[(5-fluoro-1-methyl-indole-2-carbonyl)amino]-3-methyl-pentanoyl]amino]propanoic acid CAS Name: 3-[[2-[[(5-fluoro-1-methyl-2-indolyl)-oxomethyl]amino]-3-methyl-1-oxopentyl]amino]propanoic acid IUPAC Name: 3-[[2-[(5-fluoro-1-methylindole-2-carbonyl)amino]-3-methylpentanoyl]amino]propanoic acid Traditional Name: 3-[[2-[(5-fluoro-1-methyl-indole-2-carbonyl)amino]-3-methyl-pentanoyl]amino]propionic acid Formula: C19H24FN3O4 MolecularWeight: 377.409963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24FN3O4/c1-4-11(2)17(19(27)21-8-7-16(24)25)22-18(26)15-10-12-9-13(20)5-6-14(12)23(15)3/h5-6,9-11,17H,4,7-8H2,1-3H3,(H,21,27)(H,22,26)(H,24,25)