deltorphin II   Click here for help

GtoPdb Ligand ID: 1615

Synonyms: (Ala(2))deltorphin II | (Ala(2),glu(4))deltorphin | Delt II | Delt-II
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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)CCC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N)C(C)C)C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)N)C)Cc1ccccc1
Isomeric SMILES OC(=O)CC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N)C(C)C)C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)N)C)Cc1ccccc1
InChI InChI=1S/C38H54N8O10/c1-20(2)31(37(55)41-19-29(40)48)46-38(56)32(21(3)4)45-35(53)27(15-16-30(49)50)43-36(54)28(18-23-9-7-6-8-10-23)44-33(51)22(5)42-34(52)26(39)17-24-11-13-25(47)14-12-24/h6-14,20-22,26-28,31-32,47H,15-19,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,54)(H,44,51)(H,45,53)(H,46,56)(H,49,50)/t22-,26-,27-,28-,31-,32-/m0/s1
InChI Key NUNBRHVOPFWRRG-LJXGPVSSSA-N
Classification Click here for help
Compound class Peptide or derivative
IUPAC Name Click here for help
(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
Synonyms Click here for help
(Ala(2))deltorphin II | (Ala(2),glu(4))deltorphin | Delt II | Delt-II
Database Links Click here for help
CAS Registry No. 122752-16-3 (source: Scifinder)
ChEMBL Ligand CHEMBL29078
GtoPdb PubChem SID 135650166
PubChem CID 14840431
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