Chem
J-GLOBAL ID：200907012684408346   Nikkaji number：J353.049C

JMV-179

JMV-179
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： C51H67N7O15S
Molecular formula furigana： C51-H67-N7-O15-S
Molecular weight： 1050.190
InChI： InChI=1S/C51H67N7O15S/c1-6-8-18-38(55-47(64)40(58-50(67)72-51(3,4)5)27-33-21-23-35(24-22-33)73-74(68,69)70)45(62)53-31-43(59)54-41(28-34-30-52-37-20-14-13-17-36(34)37)48(65)56-39(19-9-7-2)46(63)57-42(29-44(60)61)49(66)71-26-25-32-15-11-10-12-16-32/h10-17,20-24,30,38-42,52H,6-9,18-19,25-29,31H2,1-5H3,(H,53,62)(H,54,59)(H,55,64)(H,56,65)(H,57,63)(H,58,67)(H,60,61)(H,68,69,70)/t38-,39-,40-,41+,42-/m0/s1
InChI key： IOXMTWKALARBDR-DNOUOQLUSA-N
SMILES： CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)OCCc1ccccc1
Systematic name  (4)：
  • Boc-O-スルホ-L-Tyr-L-Nle-Gly-D-Trp-L-Nle-L-Asp-フェネチルOH
  • Boc-O-スルホ-L-Tyr-L-Nle-Gly-D-Trp-L-Nle-L-Asp-(2-フェニルエチル)OH
  • (3S)-3-[(2S)-2-[(2R)-2-{2-[(2S)-2-[(2S)-2-{[(tert-ブトキシ)カルボニル]アミノ}-3-[4-(スルホオキシ)フェニル]プロパンアミド]ヘキサンアミド]アセトアミド}-3-(1H-インドール-3-イル)プロパンアミド]ヘキサンアミド]-4-オキソ-4-(2-フェニルエトキシ)ブタン酸
  • (3S)-3-[(2S)-2-[(2R)-2-{2-[(2S)-2-[(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-[4-(sulfooxy)phenyl]propanamido]hexanamido]acetamido}-3-(1H-indol-3-yl)propanamido]hexanamido]-4-oxo-4-(2-phenylethoxy)butanoic acid
Other name (2)：
  • JMV-179
  • Boc-O-Sulfo-L-Tyr-L-Nle-Gly-D-Trp-L-Nle-L-Asp-(2-phenylethyl)OH
Application (1)：
antihormone
Thsaurus map：
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