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Concept information

ترکیب کلر آلی > کلرومتیل کتون Ac Tyr Val Ala Asp

Preferred term

کلرومتیل کتون Ac Tyr Val Ala Asp  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • 0

formula

  • C24H33ClN4O8

has_role

inchi

  • InChI=1S/C24H33ClN4O8/c1-12(2)21(24(37)26-13(3)22(35)28-17(10-20(33)34)19(32)11-25)29-23(36)18(27-14(4)30)9-15-5-7-16(31)8-6-15/h5-8,12-13,17-18,21,31H,9-11H2,1-4H3,(H,26,37)(H,27,30)(H,28,35)(H,29,36)(H,33,34)/t13-,17-,18-,21-/m0/s1

inchikey

  • UOUBHJRCKHLGFB-DGJUNBOTSA-N

mass

  • 541.000

monoisotopicmass

  • 540.19869

smiles

  • CC(C)[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)CCl

subset

  • 3_STAR

synonym EXACT

  • N-acetyl-L-tyrosyl-L-valyl-N-[(2S)-1-carboxy-4-chloro-3-oxobutan-2-yl]-L-alaninamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:230455

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