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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 > oligopeptide > dipeptide > n-desmethyl 12-hydroxy pretubulysind
... > organooxygen compound > carboxamide > peptide > oligopeptide > dipeptide > n-desmethyl 12-hydroxy pretubulysind
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > peptide > oligopeptide > dipeptide > n-desmethyl 12-hydroxy pretubulysind
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > peptide > oligopeptide > dipeptide > n-desmethyl 12-hydroxy pretubulysind
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > peptide > oligopeptide > dipeptide > n-desmethyl 12-hydroxy pretubulysind

Preferred term

n-desmethyl 12-hydroxy pretubulysind  

Type

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

Broader concept

charge

  • 0

formula

  • C35H53N5O6S

inchi

  • InChI=1S/C35H53N5O6S/c1-7-22(4)31(39-33(43)27-15-11-12-16-40(27)6)34(44)38-30(21(2)3)28(41)19-29-37-26(20-47-29)32(42)36-25(17-23(5)35(45)46)18-24-13-9-8-10-14-24/h8-10,13-14,20-23,25,27-28,30-31,41H,7,11-12,15-19H2,1-6H3,(H,36,42)(H,38,44)(H,39,43)(H,45,46)/t22-,23-,25+,27+,28+,30-,31-/m0/s1

inchikey

  • XXUVTCOCVSDKNZ-AHOUOKPHSA-N

mass

  • 671.900

monoisotopicmass

  • 671.37166

smiles

  • S1C(=NC(=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C[C@@H](C(=O)O)C)C[C@@H](O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3N(CCCC3)C)[C@H](CC)C)C(C)C

subset

  • 2_STAR

synonym EXACT

  • (2S,4R)-4-[[2-[(2R,3S)-2-hydroxy-4-methyl-3-[[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:212206

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