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Concept information

Preferred term

JBIR 126  

Type

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

Broader concept

charge

  • 0

formula

  • C24H30ClN5O7

inchi

  • InChI=1S/C24H30ClN5O7/c1-23(10-31,22(35)36)28-19(33)18(14-5-4-6-26-14)27-21(34)24(2)11-37-20(29-24)13-9-30(3)15-7-12(25)8-16(32)17(13)15/h7-9,14,18,26,31-32H,4-6,10-11H2,1-3H3,(H,27,34)(H,28,33)(H,35,36)/t14-,18+,23?,24+/m1/s1

inchikey

  • DNRWOARHBKGXQM-NMKZSIDYSA-N

mass

  • 535.980

monoisotopicmass

  • 535.18338

smiles

  • ClC1=CC(O)=C2C(C=3OC[C@](N3)(C(=O)N[C@H](C(=O)NC(C(=O)O)(CO)C)[C@@H]4NCCC4)C)=CN(C2=C1)C

subset

  • 2_STAR

synonym EXACT

  • 2-[[(2S)-2-[[(4S)-2-(6-chloro-4-hydroxy-1-methylindol-3-yl)-4-methyl-5H-1,3-oxazole-4-carbonyl]amino]-2-[(2R)-pyrrolidin-2-yl]acetyl]amino]-3-hydroxy-2-methylpropanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:220353

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