C3   

GtoPdb Ligand ID: 1291

Comment: Synthetic analogue of MCH, consisting of residues 6-17 of the natural sequence with one amino-acid substitution
2D Structure
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SMILES / InChI / InChIKey
Canonical SMILES NCCCCC(C(=O)NC(C(=O)NC(C(=O)O)C)C)NC(=O)C(NC(=O)C(NC(=O)C(OC1C(O)C(CO)OC(C1NC(=O)C)OP(=O)(OP(=O)(OCC1OC(C(C1O)O)n1ccc(=O)[nH]c1=O)O)O)C)C)CCC(=O)O
Isomeric SMILES NCCCCC(C(=O)NC(C(=O)NC(C(=O)O)C)C)NC(=O)C(NC(=O)C(NC(=O)C(OC1C(O)C(CO)OC(C1NC(=O)C)OP(=O)(OP(=O)(OCC1OC(C(C1O)O)n1ccc(=O)[nH]c1=O)O)O)C)C)CCC(=O)O
InChI InChI=1S/C40H65N9O26P2/c1-16(32(58)44-18(3)38(63)64)43-35(61)21(8-6-7-12-41)47-36(62)22(9-10-26(53)54)46-33(59)17(2)42-34(60)19(4)71-31-27(45-20(5)51)39(73-23(14-50)29(31)56)74-77(68,69)75-76(66,67)70-15-24-28(55)30(57)37(72-24)49-13-11-25(52)48-40(49)65/h11,13,16-19,21-24,27-31,37,39,50,55-57H,6-10,12,14-15,41H2,1-5H3,(H,42,60)(H,43,61)(H,44,58)(H,45,51)(H,46,59)(H,47,62)(H,53,54)(H,63,64)(H,66,67)(H,68,69)(H,48,52,65)
InChI Key QAXSYKNMKWGHOF-UHFFFAOYSA-N
Classification
Compound class Peptide or derivative
IUPAC Name
4-[2-[2-[3-acetamido-2-[[[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoylamino]-5-[[6-amino-1-[[1-[(1-hydroxy-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid
Database Links
GtoPdb PubChem SID 135652051
PubChem CID 268
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