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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-val1]mc-lr
organooxygen compound > carboxamide > peptide > [d-val1]mc-lr
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > peptide > [d-val1]mc-lr
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > peptide > [d-val1]mc-lr
... > 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-val1]mc-lr

Preferred term

[d-val1]mc-lr  

Type

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

Broader concept

charge

  • 0

formula

  • C51H78N10O12

inchi

  • InChI=1S/C51H78N10O12/c1-27(2)24-38-47(67)60-42(50(71)72)32(8)44(64)56-36(18-15-23-54-51(52)53)46(66)55-35(20-19-29(5)25-30(6)39(73-11)26-34-16-13-12-14-17-34)31(7)43(63)57-37(49(69)70)21-22-40(62)61(10)33(9)45(65)59-41(28(3)4)48(68)58-38/h12-14,16-17,19-20,25,27-28,30-32,35-39,41-42H,9,15,18,21-24,26H2,1-8,10-11H3,(H,55,66)(H,56,64)(H,57,63)(H,58,68)(H,59,65)(H,60,67)(H,69,70)(H,71,72)(H4,52,53,54)/b20-19+,29-25+/t30-,31-,32-,35-,36-,37+,38-,39-,41+,42+/m0/s1

inchikey

  • QEBMEJHOLOTQNA-ZTAMYMMKSA-N

mass

  • 1023.243

monoisotopicmass

  • 1022.58007

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)CC(C)C)C(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-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-5-propan-2-yl-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:221094

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