Chem
J-GLOBAL ID:200907050318912979   Nikkaji number:J535.940F

Suc-O-Sulfo-L-Tyr-L-Nle-Gly-D-Trp-L-Nle-phenethyl NH2

Suc-O-スルホ-L-Tyr-L-Nle-Gly-D-Trp-L-Nle-フェネチルNH2
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: C46H59N7O12S
Molecular formula furigana: C46-H59-N7-O12-S
Molecular weight: 934.080
InChI: InChI=1S/C46H59N7O12S/c1-3-5-15-36(43(58)47-25-24-30-12-8-7-9-13-30)52-46(61)39(27-32-28-48-35-17-11-10-14-34(32)35)51-41(55)29-49-44(59)37(16-6-4-2)53-45(60)38(50-40(54)22-23-42(56)57)26-31-18-20-33(21-19-31)65-66(62,63)64/h7-14,17-21,28,36-39,48H,3-6,15-16,22-27,29H2,1-2H3,(H,47,58)(H,49,59)(H,50,54)(H,51,55)(H,52,61)(H,53,60)(H,56,57)(H,62,63,64)/t36-,37-,38-,39+/m0/s1
InChI key: BGUDGBDETHXZCV-BTSKBWHGSA-N
SMILES: CCCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCCC)NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)CCC(=O)O)C(=O)NCCc1ccccc1
Systematic name  (3):
  • Suc-O-スルホ-L-Tyr-L-Nle-Gly-D-Trp-L-Nle-フェネチルNH2
  • 3-{[(1S)-1-{[(1S)-1-[({[(1R)-2-(1H-インドール-3-イル)-1-{[(1S)-1-[(2-フェニルエチル)カルバモイル]ペンチル]カルバモイル}エチル]カルバモイル}メチル)カルバモイル]ペンチル]カルバモイル}-2-[4-(スルホオキシ)フェニル]エチル]カルバモイル}プロパン酸
  • 3-{[(1S)-1-{[(1S)-1-[({[(1R)-2-(1H-indol-3-yl)-1-{[(1S)-1-[(2-phenylethyl)carbamoyl]pentyl]carbamoyl}ethyl]carbamoyl}methyl)carbamoyl]pentyl]carbamoyl}-2-[4-(sulfooxy)phenyl]ethyl]carbamoyl}propanoic acid
Other name (1):
  • Suc-O-Sulfo-L-Tyr-L-Nle-Gly-D-Trp-L-Nle-phenethyl NH2
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