charge
label: بار @fa

formula
label: فرمول @fa

inchi
label: اینچی @fa

inchikey
label: اینچی‌کی @fa

mass
label: جرم @fa

monoisotopicmass
label: جرم تک‌ایزوتوپی @fa

smiles
label: اسمایلٓ @fa

subset
label: زیرمجموعه @fa

synonym EXACT
label: مترادف دقیق @fa

peptide
type: Concept
narrower: acetyl-qinichelin
preferred label: پپتید @fa

acetyl-qinichelin
type: Concept
charge: 0
formula: C33H51N9O15
inchi: InChI=1S/C33H51N9O15/c1-17(46)35-19(28(50)37-21-9-5-13-41(56)32(21)54)8-4-12-42(57)33(55)24(16-45)40-31(53)23(15-44)39-29(51)20(7-3-11-34)36-30(52)22(14-43)38-27(49)18-6-2-10-25(47)26(18)48/h2,6,10,19-24,43-45,47-48,56-57H,3-5,7-9,11-16,34H2,1H3,(H,35,46)(H,36,52)(H,37,50)(H,38,49)(H,39,51)(H,40,53)/t19-,20-,21-,22+,23+,24-/m0/s1
inchikey: MRKAXCKZNNHNNP-NOGMDXJMSA-N
mass: 813.819
monoisotopicmass: 813.35046
subset: 2_STAR
synonym EXACT: N-[(2R)-1-[[(2S)-5-acetamido-1-[[(2R)-1-[[(2S)-1-[[(4S)-4-amino-5-[[(3S)-1-hydroxy-2-oxopiperidin-3-yl]amino]-5-oxopentyl]-hydroxyamino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-2,3-dihydroxybenzamide
synonym EXACT: N-[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(4S)-4-acetamido-5-[[(3S)-1-hydroxy-2-oxopiperidin-3-yl]amino]-5-oxopentyl]-hydroxyamino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-amino-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-2,3-dihydroxybenzamide
broader: peptide
preferred label: استیل کینیچلین @fa