3-[[1-(4-azanylbutylamino)-3-(2-fluorophenyl)-1-oxidanylidene-propan-2-yl]carbamoyl]oxirane-2-carboxylic acid

Systemtic Name: 3-[[1-(4-azanylbutylamino)-3-(2-fluorophenyl)-1-oxidanylidene-propan-2-yl]carbamoyl]oxirane-2-carboxylic acid Openeye Name: 3-[[2-(4-aminobutylamino)-1-[(2-fluorophenyl)methyl]-2-oxo-ethyl]carbamoyl]oxirane-2-carboxylic acid CAS Name: 3-[[[1-(4-aminobutylamino)-3-(2-fluorophenyl)-1-oxopropan-2-yl]amino]-oxomethyl]-2-oxiranecarboxylic acid IUPAC Name: 3-[[1-(4-aminobutylamino)-3-(2-fluorophenyl)-1-oxopropan-2-yl]carbamoyl]oxirane-2-carboxylic acid Traditional Name: 3-[[2-(4-aminobutylamino)-1-(2-fluorobenzyl)-2-keto-ethyl]carbamoyl]oxirane-2-carboxylic acid Formula: C17H22FN3O5 MolecularWeight: 367.372083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC(C(=O)NCCCCN)NC(=O)C2C(O2)C(=O)O)F

Isomeric SMILES

C1=CC=C(C(=C1)CC(C(=O)NCCCCN)NC(=O)C2C(O2)C(=O)O)F

InChI

InChI=1S/C17H22FN3O5/c18-11-6-2-1-5-10(11)9-12(15(22)20-8-4-3-7-19)21-16(23)13-14(26-13)17(24)25/h1-2,5-6,12-14H,3-4,7-9,19H2,(H,20,22)(H,21,23)(H,24,25)