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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-asp3,(e)-dhb7]mc-lw
organooxygen compound > carboxamide > peptide > [d-asp3,(e)-dhb7]mc-lw
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > peptide > [d-asp3,(e)-dhb7]mc-lw
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > peptide > [d-asp3,(e)-dhb7]mc-lw
... > 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-asp3,(e)-dhb7]mc-lw

Preferred term

[d-asp3,(e)-dhb7]mc-lw  

Type

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

Broader concept

charge

  • 0

formula

  • C53H70N8O12

inchi

  • InChI=1S/C53H70N8O12/c1-9-37-49(66)55-33(7)48(65)60-41(23-29(2)3)50(67)61-43(53(71)72)27-46(63)57-42(26-35-28-54-39-18-14-13-17-36(35)39)51(68)58-38(32(6)47(64)59-40(52(69)70)21-22-45(62)56-37)20-19-30(4)24-31(5)44(73-8)25-34-15-11-10-12-16-34/h9-20,24,28-29,31-33,38,40-44,54H,21-23,25-27H2,1-8H3,(H,55,66)(H,56,62)(H,57,63)(H,58,68)(H,59,64)(H,60,65)(H,61,67)(H,69,70)(H,71,72)/b20-19+,30-24+,37-9+/t31-,32-,33+,38-,40+,41-,42-,43+,44-/m0/s1

inchikey

  • MPMAWWUGDHJXMB-GJVNGLMXSA-N

mass

  • 1011.187

monoisotopicmass

  • 1010.51132

smiles

  • O=C/1N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)CC(=O)N[C@@H](CC=2C3=C(C=CC=C3)NC2)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)CC4=CC=CC=C4)C)/C)=O)CC(C)C)C

subset

  • 2_STAR

synonym EXACT

  • (2E,5R,8S,11R,15S,18S,19S,22R)-2-ethylidene-15-(1H-indol-3-ylmethyl)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-5,19-dimethyl-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:221170

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