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Chemistry, part 1

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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 > [d-leu1]mc-hphr
organooxygen compound > carboxamide > peptide > [d-leu1]mc-hphr
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > peptide > [d-leu1]mc-hphr
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > peptide > [d-leu1]mc-hphr
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > peptide > [d-leu1]mc-hphr

Preferred term

[d-leu1]mc-hphr  

Type

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

Broader concept

charge

  • 0

formula

  • C56H80N10O12

inchi

  • InChI=1S/C56H80N10O12/c1-32(2)29-44-53(73)62-42(25-23-38-17-12-10-13-18-38)52(72)65-47(55(76)77)36(6)49(69)61-41(21-16-28-59-56(57)58)51(71)60-40(24-22-33(3)30-34(4)45(78-9)31-39-19-14-11-15-20-39)35(5)48(68)63-43(54(74)75)26-27-46(67)66(8)37(7)50(70)64-44/h10-15,17-20,22,24,30,32,34-36,40-45,47H,7,16,21,23,25-29,31H2,1-6,8-9H3,(H,60,71)(H,61,69)(H,62,73)(H,63,68)(H,64,70)(H,65,72)(H,74,75)(H,76,77)(H4,57,58,59)/b24-22+,33-30+/t34-,35-,36-,40-,41-,42-,43+,44+,45-,47+/m0/s1

inchikey

  • ZDUORUGJYRAXQK-AWTKRBTQSA-N

mass

  • 1085.314

monoisotopicmass

  • 1084.59572

smiles

  • O=C1N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(N[C@H]([C@@H](C(N[C@H](CCC(N(C1=C)C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC)CC2=CC=CC=C2)C)/C)=O)C)CCC3=CC=CC=C3)CC(C)C

subset

  • 2_STAR

synonym EXACT

  • (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,12,19-trimethyl-2-methylidene-5-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-8-(2-phenylethyl)-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:221145

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