4-azanyl-2-(1-azanyl-3-fluoranyl-2-oxidanylidene-propyl)-2-[1-(carboxymethyl)indol-2-yl]carbonyl-5-methyl-3-oxidanylidene-hexanoic acid

Systemtic Name: 4-azanyl-2-(1-azanyl-3-fluoranyl-2-oxidanylidene-propyl)-2-[1-(carboxymethyl)indol-2-yl]carbonyl-5-methyl-3-oxidanylidene-hexanoic acid Openeye Name: 4-amino-2-(1-amino-3-fluoro-2-oxo-propyl)-2-[1-(carboxymethyl)indole-2-carbonyl]-5-methyl-3-oxo-hexanoic acid CAS Name: 4-amino-2-(1-amino-3-fluoro-2-oxopropyl)-2-[[1-(carboxymethyl)-2-indolyl]-oxomethyl]-5-methyl-3-oxohexanoic acid IUPAC Name: 4-amino-2-(1-amino-3-fluoro-2-oxopropyl)-2-[1-(carboxymethyl)indole-2-carbonyl]-5-methyl-3-oxohexanoic acid Traditional Name: 4-amino-2-(1-amino-3-fluoro-2-keto-propyl)-2-[1-(carboxymethyl)indole-2-carbonyl]-3-keto-5-methyl-hexanoic acid Formula: C21H24FN3O7 MolecularWeight: 449.429563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C(C(C(=O)CF)N)(C(=O)C1=CC2=CC=CC=C2N1CC(=O)O)C(=O)O)N

Isomeric SMILES

CC(C)C(C(=O)C(C(C(=O)CF)N)(C(=O)C1=CC2=CC=CC=C2N1CC(=O)O)C(=O)O)N

InChI

InChI=1S/C21H24FN3O7/c1-10(2)16(23)19(30)21(20(31)32,17(24)14(26)8-22)18(29)13-7-11-5-3-4-6-12(11)25(13)9-15(27)28/h3-7,10,16-17H,8-9,23-24H2,1-2H3,(H,27,28)(H,31,32)