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Concept information

Preferred term

holrhizin l  

Type

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

Broader concept

charge

  • 0

formula

  • C41H66N6O10

inchi

  • InChI=1S/C41H66N6O10/c1-9-10-11-12-16-19-32(48)46-34(25(4)5)40(55)45-31(23-28-17-14-13-15-18-28)39(54)43-29(20-21-33(49)50)37(52)44-30(22-24(2)3)38(53)42-27(8)36(51)47-35(26(6)7)41(56)57/h13-15,17-18,24-27,29-31,34-35H,9-12,16,19-23H2,1-8H3,(H,42,53)(H,43,54)(H,44,52)(H,45,55)(H,46,48)(H,47,51)(H,49,50)(H,56,57)/t27-,29-,30-,31-,34-,35-/m0/s1

inchikey

  • QIWXEBJTRZRLCG-XQJLSMJRSA-N

mass

  • 803.011

monoisotopicmass

  • 802.48404

smiles

  • O=C(O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCCCCCC)C(C)C)CC1=CC=CC=C1)CCC(=O)O)CC(C)C)C)C(C)C

subset

  • 2_STAR

synonym EXACT

  • (4S)-5-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-methylpropyl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[[(2S)-2-[[(2S)-3-methyl-2-(octanoylamino)butanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:223731

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