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Concept information

Preferred term

گوبیچلین A  

Type

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

Broader concept

charge

  • 0

formula

  • C30H41N9O9

inchi

  • InChI=1S/C30H41N9O9/c31-10-4-3-7-19(25(42)37-22(14-40)27(44)35-20-8-5-11-39(47)30(20)46)34-26(43)21(12-17-13-32-16-33-17)36-28(45)23-15-48-29(38-23)18-6-1-2-9-24(18)41/h1-2,6,9,13,16,19-23,40-41,47H,3-5,7-8,10-12,14-15,31H2,(H,32,33)(H,34,43)(H,35,44)(H,36,45)(H,37,42)/t19-,20+,21+,22+,23+/m1/s1

inchikey

  • LRVQAPVXSPHVLF-QCBQRGATSA-N

mass

  • 671.712

monoisotopicmass

  • 671.30272

smiles

  • O=C1N(O)CCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H]2N=C(C3=C(O)C=CC=C3)OC2)CC=4NC=NC4)CCCCN)CO

subset

  • 2_STAR

synonym EXACT

  • (4S)-N-[(2S)-1-[[(2R)-6-amino-1-[[(2S)-3-hydroxy-1-[[(3S)-1-hydroxy-2-oxopiperidin-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:210221

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