Chem
J-GLOBAL ID:200907048397118315   Nikkaji number:J578.118C

Cyclo[L-Pro-Gly-L-Val-Gly-β-hydroxy-3-(2-methylbutyl)-O-methyl-L-Tyr-Gly-L-Trp-]

シクロ[L-Pro-Gly-L-Val-Gly-β-ヒドロキシ-3-(2-メチルブチル)-O-メチル-L-Tyr-Gly-L-Trp-]
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C42H56N8O9
Molecular formula furigana: C42-H56-N8-O9
Molecular weight: 816.957
InChI: InChI=1S/C42H56N8O9/c1-6-24(4)16-26-17-25(13-14-32(26)59-5)38(54)37-41(57)46-20-33(51)47-30(18-27-19-43-29-11-8-7-10-28(27)29)42(58)50-15-9-12-31(50)39(55)44-21-34(52)48-36(23(2)3)40(56)45-22-35(53)49-37/h7-8,10-11,13-14,17,19,23-24,30-31,36-38,43,54H,6,9,12,15-16,18,20-22H2,1-5H3,(H,44,55)(H,45,56)(H,46,57)(H,47,51)(H,48,52)(H,49,53)/t24?,30-,31-,36-,37-,38?/m0/s1
InChI key: DSJWALPDJGTOER-MNUHEZECSA-N
SMILES: CCC(C)Cc1cc(ccc1OC)C(O)[C@@H]1NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC1=O)C(C)C
Systematic name  (4):
  • シクロ[L-Pro-Gly-L-Val-Gly-β-ヒドロキシ-O-メチル-3-(2-メチルブチル)-L-Tyr-Gly-L-Trp-]
  • シクロ[L-Pro-Gly-L-Val-Gly-β-ヒドロキシ-3-(2-メチルブチル)-O-メチル-L-Tyr-Gly-L-Trp-]
  • (6S,12S,18S,23aS)-12-{ヒドロキシ[4-メトキシ-3-(2-メチルブチル)フェニル]メチル}-18-[(1H-インドール-3-イル)メチル]-6-(プロパン-2-イル)-ドコサヒドロ-1H-ピロロ[1,2-a]1,4,7,10,13,16,19-ヘプタアザシクロヘンイコサン-1,4,7,10,13,16,19-ヘプタオン
  • (6S,12S,18S,23aS)-12-{hydroxy[4-methoxy-3-(2-methylbutyl)phenyl]methyl}-18-[(1H-indol-3-yl)methyl]-6-(propan-2-yl)-docosahydro-1H-pyrrolo[1,2-a]1,4,7,10,13,16,19-heptaazacyclohenicosane-1,4,7,10,13,16,19-heptone
Other name (2):
  • Cyclo[L-Pro-Gly-L-Val-Gly-β-hydroxy-O-methyl-3-(2-methylbutyl)-L-Tyr-Gly-L-Trp-]
  • Cyclo[L-Pro-Gly-L-Val-Gly-β-hydroxy-3-(2-methylbutyl)-O-methyl-L-Tyr-Gly-L-Trp-]
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