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2212020-52-3 | GLP-1 receptor agonist 1
CAS No: 2212020-52-3 Catalog No: AG01FL5X MDL No:
Product Description
Catalog Number:
AG01FL5X
Chemical Name:
GLP-1 receptor agonist 1
CAS Number:
2212020-52-3
Molecular Formula:
C48H48F2N10O5
Molecular Weight:
882.9555
IUPAC Name:
3-[(1S,2S)-1-[5-[(4S)-2,2-dimethyloxan-4-yl]-2-[(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methylindazol-5-yl)-2-oxoimidazol-1-yl]-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]indol-1-yl]-2-methylcyclopropyl]-1,2,4-oxadiazolidin-5-one
InChI:
InChI=1S/C48H50F2N10O5/c1-25-18-32(19-26(2)40(25)49)60-42(58-16-15-57(46(58)63)37-11-10-36-33(41(37)50)24-51-55(36)7)39-28(4)56(14-12-34(39)53-60)43(61)38-21-31-20-29(30-13-17-64-47(5,6)23-30)8-9-35(31)59(38)48(22-27(48)3)44-52-45(62)65-54-44/h8-11,15-16,18-21,24,27-28,30,44,54H,12-14,17,22-23H2,1-7H3,(H,52,62)/t27-,28-,30-,44?,48-/m0/s1
InChI Key:
ODKSGLKPGFWSSB-BWIQJDIQSA-N
SMILES:
O=c1onc([nH]1)[C@@]1(C[C@@H]1C)n1c(cc2c1ccc(c2)[C@H]1CCOC(C1)(C)C)C(=O)N1CCc2c([C@@H]1C)c(n(n2)c1cc(C)c(c(c1)C)F)n1ccn(c1=O)c1ccc2c(c1F)cnn2C
Properties
Complexity:
1890
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
884.393g/mol
Formal Charge:
0
Heavy Atom Count:
65
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
884.99g/mol
Monoisotopic Mass:
884.393g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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