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Concept information

Preferred term

cusperin b  

Type

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

Broader concept

charge

  • 0

formula

  • C25H40N4O8

inchi

  • InChI=1S/C25H40N4O8/c1-13(8-9-27-23(34)21(32)25(36)11-14(2)15(3)17(5)37-25)20(31)16(4)24(35)29-10-6-7-18(29)22(33)28-12-19(26)30/h8-9,13,15-18,20-21,31-32,36H,2,6-7,10-12H2,1,3-5H3,(H2,26,30)(H,27,34)(H,28,33)/b9-8+/t13?,15-,16?,17-,18+,20-,21-,25-/m1/s1

inchikey

  • FRVCGSZIVNIXOO-GYXPDKRDSA-N

mass

  • 524.615

monoisotopicmass

  • 524.28461

smiles

  • O=C(NCC(=O)N)[C@H]1N(C(=O)C([C@H](O)C(/C=C/NC(=O)[C@@H](O)[C@@]2(O[C@@H]([C@H](C)C(C2)=C)C)O)C)C)CCC1

subset

  • 2_STAR

synonym EXACT

  • (2S)-N-(2-amino-2-oxoethyl)-1-[(E,3R)-3-hydroxy-6-[[(2S)-2-hydroxy-2-[(2R,5R,6R)-2-hydroxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetyl]amino]-2,4-dimethylhex-5-enoyl]pyrrolidine-2-carboxamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:212796

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