Chem
J-GLOBAL ID：200907069438367470   Nikkaji number：J370.361D

Deltorphin I

デルトルフィンI
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： C37H52N8O10
Molecular formula furigana： C37-H52-N8-O10
Molecular weight： 768.869
InChI： InChI=1S/C37H52N8O10/c1-19(2)30(36(54)40-18-28(39)47)45-37(55)31(20(3)4)44-35(53)27(17-29(48)49)43-34(52)26(16-22-9-7-6-8-10-22)42-32(50)21(5)41-33(51)25(38)15-23-11-13-24(46)14-12-23/h6-14,19-21,25-27,30-31,46H,15-18,38H2,1-5H3,(H2,39,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t21-,25+,26+,27+,30+,31+/m1/s1
InChI key： CJAORFIPPWIGPG-QXYJMILXSA-N
SMILES： CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N
Systematic name  (4)：
  • L-Tyr-D-Ala-L-Phe-L-αAsp-L-Val-L-Val-Gly-NH2
  • L-Tyr-D-Ala-L-Phe-L-Asp-L-Val-L-Val-Gly-NH2
  • (3S)-3-[(2S)-2-[(2R)-2-[(2S)-2-アミノ-3-(4-ヒドロキシフェニル)プロパンアミド]プロパンアミド]-3-フェニルプロパンアミド]-3-{[(1S)-1-{[(1S)-1-[(カルバモイルメチル)カルバモイル]-2-メチルプロピル]カルバモイル}-2-メチルプロピル]カルバモイル}プロパン酸
  • (3S)-3-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]propanamido]-3-phenylpropanamido]-3-{[(1S)-1-{[(1S)-1-[(carbamoylmethyl)carbamoyl]-2-methylpropyl]carbamoyl}-2-methylpropyl]carbamoyl}propanoic acid
Other name (7)：
  • [D-Ala2]deltorphin I
  • [D-Ala2]デルトルフィンI
  • デルトルフィンC
  • [D-Ala2]Deltorphin I
  • Deltorphin C
Show all
KEGG COMPOUND： C18097
Application (1)：
narcotic analgesic
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