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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,(e/z)-dhb7]mc-lhar
organooxygen compound > carboxamide > peptide > [gly1,d-asp3,(e/z)-dhb7]mc-lhar
... > 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,(e/z)-dhb7]mc-lhar
... > 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,(e/z)-dhb7]mc-lhar
... > 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,(e/z)-dhb7]mc-lhar

Preferred term

[gly1,d-asp3,(e/z)-dhb7]mc-lhar  

Type

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

Broader concept

charge

  • 0

formula

  • C48H78N10O12

inchi

  • InChI=1S/C48H78N10O12/c1-8-32-43(63)52-26-41(61)55-36(22-27(2)3)45(65)58-37(47(68)69)25-40(60)54-34(16-12-13-21-51-48(49)50)44(64)56-33(30(6)42(62)57-35(46(66)67)19-20-39(59)53-32)18-17-28(4)23-29(5)38(70-7)24-31-14-10-9-11-15-31/h8,17-18,23,27,29-31,33-38H,9-16,19-22,24-26H2,1-7H3,(H,52,63)(H,53,59)(H,54,60)(H,55,61)(H,56,64)(H,57,62)(H,58,65)(H,66,67)(H,68,69)(H4,49,50,51)/b18-17+,28-23+,32-8?/t29-,30-,33-,34-,35+,36-,37+,38-/m0/s1

inchikey

  • JVRDKYPSZUARBP-RYDRMDOGSA-N

mass

  • 987.210

monoisotopicmass

  • 986.58007

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)CC2CCCCC2)C)/C)=O)CC(C)C

subset

  • 2_STAR

synonym EXACT

  • (8S,11R,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-7-cyclohexyl-6-methoxy-3,5-dimethylhepta-1,3-dienyl]-15-[4-(diaminomethylideneamino)butyl]-2-ethylidene-19-methyl-8-(2-methylpropyl)-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:221262

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