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

Systemtic Name: 2-[[2-[(5-fluoranyl-1-methyl-indol-2-yl)carbonylamino]-3-methyl-pentanoyl]amino]ethanoic acid Openeye Name: 2-[[2-[(5-fluoro-1-methyl-indole-2-carbonyl)amino]-3-methyl-pentanoyl]amino]acetic acid CAS Name: 2-[[2-[[(5-fluoro-1-methyl-2-indolyl)-oxomethyl]amino]-3-methyl-1-oxopentyl]amino]acetic acid IUPAC Name: 2-[[2-[(5-fluoro-1-methylindole-2-carbonyl)amino]-3-methylpentanoyl]amino]acetic acid Traditional Name: 2-[[2-[(5-fluoro-1-methyl-indole-2-carbonyl)amino]-3-methyl-pentanoyl]amino]acetic acid Formula: C18H22FN3O4 MolecularWeight: 363.383383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22FN3O4/c1-4-10(2)16(18(26)20-9-15(23)24)21-17(25)14-8-11-7-12(19)5-6-13(11)22(14)3/h5-8,10,16H,4,9H2,1-3H3,(H,20,26)(H,21,25)(H,23,24)