E2078   Click here for help

GtoPdb Ligand ID: 1648

Synonyms: E 2078 | E-2078 | N-Me-tyr(1)-N-Me-arg(7)-N-Et-leunh2(8)-dynorphin (1-8) | N-methyl-Tyr1,N-methyl-Arg7,D-leu8-dynorphin-A(1-8)
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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES CCNC(=O)C(NC(=O)C(N(C(=O)C(NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C(Cc1ccc(cc1)O)NC)CC(C)C)CCCN=C(N)N)C)CCCN=C(N)N)CC(C)C
Isomeric SMILES CCNC(=O)[C@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(cc1)O)NC)CC(C)C)CCCN=C(N)N)C)CCCN=C(N)N)CC(C)C
InChI InChI=1S/C50H81N15O9/c1-8-56-44(70)37(24-30(2)3)64-47(73)40(17-13-23-58-50(53)54)65(7)48(74)35(16-12-22-57-49(51)52)62-45(71)38(25-31(4)5)63-46(72)39(27-32-14-10-9-11-15-32)61-42(68)29-59-41(67)28-60-43(69)36(55-6)26-33-18-20-34(66)21-19-33/h9-11,14-15,18-21,30-31,35-40,55,66H,8,12-13,16-17,22-29H2,1-7H3,(H,56,70)(H,59,67)(H,60,69)(H,61,68)(H,62,71)(H,63,72)(H,64,73)(H4,51,52,57)(H4,53,54,58)/t35-,36-,37+,38-,39-,40-/m0/s1
InChI Key JENWDDCMEATQSR-ONSKYXJOSA-N
Classification Click here for help
Compound class Peptide or derivative
IUPAC Name Click here for help
(2S)-N-[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-5-(diaminomethylideneamino)-1-[[(2R)-1-ethylamino-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]-methylamino]-1-oxopentan-2-yl]-2-[[(2S)-2-[[2-[[2-[[(2S)-3-(4-hydroxyphenyl)-2-methylaminopropanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanamide
Synonyms Click here for help
E 2078 | E-2078 | N-Me-tyr(1)-N-Me-arg(7)-N-Et-leunh2(8)-dynorphin (1-8) | N-methyl-Tyr1,N-methyl-Arg7,D-leu8-dynorphin-A(1-8)
Database Links Click here for help
CAS Registry No. 103613-84-9 (source: Scifinder)
GtoPdb PubChem SID 135652142
PubChem CID 122220
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