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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 > pacidamycin 2
... > organooxygen compound > carboxamide > peptide > oligopeptide > dipeptide > pacidamycin 2
... > 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 > pacidamycin 2
... > 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 > pacidamycin 2
... > 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 > pacidamycin 2

Preferred term

pacidamycin 2  

Type

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

Broader concept

charge

  • 0

formula

  • C39H49N9O12

inchi

  • InChI=1S/C39H49N9O12/c1-20(40)32(52)43-27(17-24-11-8-12-25(49)15-24)35(55)47(4)22(3)31(34(54)41-19-26-18-29(50)36(60-26)48-14-13-30(51)45-39(48)59)46-33(53)21(2)42-38(58)44-28(37(56)57)16-23-9-6-5-7-10-23/h5-15,19-22,27-29,31,36,49-50H,16-18,40H2,1-4H3,(H,41,54)(H,43,52)(H,46,53)(H,56,57)(H2,42,44,58)(H,45,51,59)/b26-19-/t20-,21-,22-,27-,28-,29+,31-,36+/m0/s1

inchikey

  • KYZRUJUDPCUPII-CHPVFLAQSA-N

mass

  • 835.872

monoisotopicmass

  • 835.35007

smiles

  • O=C1N(C=CC(N1)=O)[C@@H]2O/C(=C/NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)N[C@H](C(=O)O)CC3=CC=CC=C3)C)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](N)C)CC4=CC(O)=CC=C4)C)C)/C[C@H]2O

subset

  • 2_STAR

synonym EXACT

  • (2S)-2-[[(2S)-1-[[(2S,3S)-3-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(3-hydroxyphenyl)propanoyl]-methylamino]-1-[[(Z)-[(4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-ylidene]methyl]amino]-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-3-phenylpropanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:222088

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