(2S)-2-azanyl-3-[3,4-bis(oxidanyl)phenyl]-2-(4-fluorophenyl)carbonyloxy-pentanoic acid

Systemtic Name: (2S)-2-azanyl-3-[3,4-bis(oxidanyl)phenyl]-2-(4-fluorophenyl)carbonyloxy-pentanoic acid Openeye Name: (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-(4-fluorobenzoyl)oxy-pentanoic acid CAS Name: (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-[(4-fluorophenyl)-oxomethoxy]pentanoic acid IUPAC Name: (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-(4-fluorobenzoyl)oxypentanoic acid Traditional Name: (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-(4-fluorobenzoyl)oxy-valeric acid Formula: C18H18FNO6 MolecularWeight: 363.337023

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=C(C=C1)O)O)C(C(=O)O)(N)OC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CCC(C1=CC(=C(C=C1)O)O)[C@](C(=O)O)(N)OC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H18FNO6/c1-2-13(11-5-8-14(21)15(22)9-11)18(20,17(24)25)26-16(23)10-3-6-12(19)7-4-10/h3-9,13,21-22H,2,20H2,1H3,(H,24,25)/t13?,18-/m0/s1