2-(1-azanyl-3-fluoranyl-2-oxidanyl-propyl)-4-[(1,3-dimethylindol-2-yl)carbonylamino]-5-methyl-3-oxidanylidene-hexanoic acid

Systemtic Name: 2-(1-azanyl-3-fluoranyl-2-oxidanyl-propyl)-4-[(1,3-dimethylindol-2-yl)carbonylamino]-5-methyl-3-oxidanylidene-hexanoic acid Openeye Name: 2-(1-amino-3-fluoro-2-hydroxy-propyl)-4-[(1,3-dimethylindole-2-carbonyl)amino]-5-methyl-3-oxo-hexanoic acid CAS Name: 2-(1-amino-3-fluoro-2-hydroxypropyl)-4-[[(1,3-dimethyl-2-indolyl)-oxomethyl]amino]-5-methyl-3-oxohexanoic acid IUPAC Name: 2-(1-amino-3-fluoro-2-hydroxypropyl)-4-[(1,3-dimethylindole-2-carbonyl)amino]-5-methyl-3-oxohexanoic acid Traditional Name: 2-(1-amino-3-fluoro-2-hydroxy-propyl)-4-[(1,3-dimethylindole-2-carbonyl)amino]-3-keto-5-methyl-hexanoic acid Formula: C21H28FN3O5 MolecularWeight: 421.462523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=CC=CC=C12)C)C(=O)NC(C(C)C)C(=O)C(C(C(CF)O)N)C(=O)O

Isomeric SMILES

CC1=C(N(C2=CC=CC=C12)C)C(=O)NC(C(C)C)C(=O)C(C(C(CF)O)N)C(=O)O

InChI

InChI=1S/C21H28FN3O5/c1-10(2)17(19(27)15(21(29)30)16(23)14(26)9-22)24-20(28)18-11(3)12-7-5-6-8-13(12)25(18)4/h5-8,10,14-17,26H,9,23H2,1-4H3,(H,24,28)(H,29,30)