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Concept information

Preferred term

باکتوبولین دی  

Type

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

Broader concept

charge

  • 0

formula

  • C17H25Cl2N3O6

inchi

  • InChI=1S/C17H25Cl2N3O6/c1-6(20)13(25)21-7(2)14(26)22-12-9-4-8(23)5-10(24)11(9)15(27)28-17(12,3)16(18)19/h6-9,12,16,23-24H,4-5,20H2,1-3H3,(H,21,25)(H,22,26)/t6-,7-,8-,9+,12+,17-/m0/s1

inchikey

  • KHGMZWVYYCQZEC-AVMQSFCVSA-N

mass

  • 438.300

monoisotopicmass

  • 437.11204

smiles

  • ClC(Cl)[C@]1(OC(=O)C2=C(O)C[C@H](C[C@H]2[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)C)C)O)C

subset

  • 2_STAR

synonym EXACT

  • (2S)-N-[(2S)-1-[[(3S,4R,4aR,6S)-3-(dichloromethyl)-6,8-dihydroxy-3-methyl-1-oxo-4a,5,6,7-tetrahydro-4H-isochromen-4-yl]amino]-1-oxopropan-2-yl]-2-aminopropanamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:225257

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