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Concept information

Preferred term

کریپتوفایسین 176  

Type

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

Broader concept

charge

  • 0

formula

  • C33H39ClN2O8

inchi

  • InChI=1S/C33H39ClN2O8/c1-19(2)16-27-33(41)43-26(20(3)30-31(44-30)22-8-5-4-6-9-22)10-7-11-28(38)36-24(32(40)35-15-14-29(39)42-27)18-21-12-13-25(37)23(34)17-21/h4-9,11-13,17,19-20,24,26-27,30-31,37H,10,14-16,18H2,1-3H3,(H,35,40)(H,36,38)/b11-7+/t20-,24+,26-,27-,30+,31+/m0/s1

inchikey

  • ZOBPQYRFOOKIQZ-JZZSZVNESA-N

mass

  • 627.130

monoisotopicmass

  • 626.23949

smiles

  • ClC1=C(O)C=CC(=C1)C[C@H]2NC(=O)C=CC[C@H](OC(=O)[C@@H](OC(CCNC2=O)=O)CC(C)C)[C@@H]([C@H]3O[C@@H]3C4=CC=CC=C4)C

subset

  • 2_STAR

synonym EXACT

  • (3S,10R,13E,16S)-10-[(3-chloro-4-hydroxyphenyl)methyl]-3-(2-methylpropyl)-16-[(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:200969

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