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Concept information

Preferred term

cysteoamide  

Type

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

Broader concept

charge

  • 0

formula

  • C29H43N5O11S

inchi

  • InChI=1S/C29H43N5O11S/c1-15(2)22(32-20(35)13-18-9-7-6-8-10-18)28(40)31-19(14-46(42,43)44)26(38)33-23-17(5)45-21(36)11-12-30-27(39)24(34-29(23)41)25(37)16(3)4/h6-10,15-17,19,22-25,37H,11-14H2,1-5H3,(H,30,39)(H,31,40)(H,32,35)(H,33,38)(H,34,41)(H,42,43,44)/t17-,19-,22+,23+,24-,25-/m1/s1

inchikey

  • QBVIHUUMLBEIRG-QFBVEMPNSA-N

mass

  • 669.750

monoisotopicmass

  • 669.26798

smiles

  • S(=O)(=O)(O)C[C@@H](NC(=O)[C@@H](NC(=O)CC1=CC=CC=C1)C(C)C)C(=O)N[C@@H]2C(=O)N[C@@H](C(=O)NCCC(O[C@@H]2C)=O)[C@H](O)C(C)C

subset

  • 2_STAR

synonym EXACT

  • (2S)-3-[[(2R,3S,6R)-6-[(1R)-1-hydroxy-2-methylpropyl]-2-methyl-4,7,11-trioxo-1-oxa-5,8-diazacycloundec-3-yl]amino]-2-[[(2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoyl]amino]-3-oxopropane-1-sulonic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:219160

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