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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > peptide > cryptophycin e
organooxygen compound > carboxamide > peptide > cryptophycin e
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > peptide > cryptophycin e
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > peptide > cryptophycin e
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > peptide > cryptophycin e

Preferred term

cryptophycin e  

Type

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

Broader concept

charge

  • 0

formula

  • C36H47ClN2O9

inchi

  • InChI=1S/C36H47ClN2O9/c1-21(2)17-28(40)36(44)47-29(23(4)32-33(48-32)25-11-8-7-9-12-25)13-10-14-31(41)39-27(34(42)38-20-22(3)35(43)46-6)19-24-15-16-30(45-5)26(37)18-24/h7-12,14-16,18,21-23,27-29,32-33,40H,13,17,19-20H2,1-6H3,(H,38,42)(H,39,41)/b14-10+/t22-,23+,27+,28+,29+,32-,33-/m1/s1

inchikey

  • XGAUXAIUGBBANH-FFGCSCSXSA-N

mass

  • 687.230

monoisotopicmass

  • 686.29701

smiles

  • ClC1=C(OC)C=CC(=C1)C[C@H](NC(=O)/C=C/C[C@H](OC(=O)[C@@H](O)CC(C)C)[C@@H]([C@H]2O[C@@H]2C3=CC=CC=C3)C)C(=O)NC[C@H](C(=O)OC)C

subset

  • 2_STAR

synonym EXACT

  • [(E,2S,3S)-7-[[(2S)-3-(3-chloro-4-methoxyphenyl)-1-[[(2R)-3-methoxy-2-methyl-3-oxopropyl]amino]-1-oxopropan-2-yl]amino]-7-oxo-2-[(2R,3R)-3-phenyloxiran-2-yl]hept-5-en-3-yl] (2S)-2-hydroxy-4-methylpentanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:203772

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