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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 > [gly1,d-asp3,admadda5,dhb7]mc-rhar
organooxygen compound > carboxamide > peptide > [gly1,d-asp3,admadda5,dhb7]mc-rhar
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > peptide > [gly1,d-asp3,admadda5,dhb7]mc-rhar
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > peptide > [gly1,d-asp3,admadda5,dhb7]mc-rhar
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > peptide > [gly1,d-asp3,admadda5,dhb7]mc-rhar

Preferred term

[gly1,d-asp3,admadda5,dhb7]mc-rhar  

Type

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

Broader concept

charge

  • 0

formula

  • C49H73N13O13

inchi

  • InChI=1S/C49H73N13O13/c1-6-32-43(68)56-26-41(66)59-35(16-12-22-55-49(52)53)45(70)62-37(47(73)74)25-40(65)58-34(15-10-11-21-54-48(50)51)44(69)60-33(29(4)42(67)61-36(46(71)72)19-20-39(64)57-32)18-17-27(2)23-28(3)38(75-30(5)63)24-31-13-8-7-9-14-31/h6-9,13-14,17-18,23,28-29,33-38H,10-12,15-16,19-22,24-26H2,1-5H3,(H,56,68)(H,57,64)(H,58,65)(H,59,66)(H,60,69)(H,61,67)(H,62,70)(H,71,72)(H,73,74)(H4,50,51,54)(H4,52,53,55)/b18-17+,27-23+,32-6?/t28-,29-,33-,34-,35-,36+,37+,38-/m0/s1

inchikey

  • HCOCFOSTEQACBS-MUXJOVKDSA-N

mass

  • 1052.201

monoisotopicmass

  • 1051.54508

smiles

  • O=C1NCC(=O)N[C@H](C(=O)N[C@@H](C(=O)O)CC(=O)N[C@@H](CCCCN=C(N)N)C(N[C@H]([C@@H](C(N[C@H](CCC(NC1=CC)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC(=O)C)CC2=CC=CC=C2)C)/C)=O)CCCN=C(N)N

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:213955

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