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Contact us: CRM@email.irandoc.ac.ir

Concept information

Preferred term

macyranone d  

Type

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

Broader concept

charge

  • 0

formula

  • C29H40N6O9

inchi

  • InChI=1S/C29H40N6O9/c1-5-22(38)20(12-19-13-30-14-31-19)32-27(41)23(16(3)36)35-28(42)24(17(4)37)34-26(40)15(2)25(39)33-21(29(43)44)11-18-9-7-6-8-10-18/h6-10,13-17,20-21,23-24,36-37H,5,11-12H2,1-4H3,(H,30,31)(H,32,41)(H,33,39)(H,34,40)(H,35,42)(H,43,44)/t15?,16-,17+,20-,21-,23-,24-/m0/s1

inchikey

  • DRLRUDYYKDPJRO-GCLCDYDMSA-N

mass

  • 616.672

monoisotopicmass

  • 616.28568

smiles

  • O=C(O)[C@@H](NC(=O)C(C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)CC)CC=1NC=NC1)[C@@H](O)C)[C@H](O)C)C)CC2=CC=CC=C2

subset

  • 2_STAR

synonym EXACT

  • (2S)-2-[[3-[[(2S,3R)-3-hydroxy-1-[[(2S,3S)-3-hydroxy-1-[[(2S)-1-(1H-imidazol-5-yl)-3-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-2-methyl-3-oxopropanoyl]amino]-3-phenylpropanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:219152

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