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Leptin Human

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CAS Number
177404-21-6
MDL Number
MFCD01094205

Chemical Information

Leptin

Although leptin is a circulating signal that reduces appetite, in general, obese people have an unusually high circulating concentration of leptin. These people are said to be resistant to the effects of leptin, in much the same way that people with type 2 diabetes are resistant to the effects of insulin. Thus, obesity develops when people take in more energy than they use over a prolonged period of time, and this excess food intake is not driven by hunger signals, occurring in spite of the anti-appetite signals from circulating leptin. The high sustained concentrations of leptin from the enlarged fat stores result in the cells that respond to leptin becoming desensitized.

CAS Number177404-21-6
PubChem CID157010069
IUPAC Name(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-1-hydroxy-4-methylpentylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-1-hydroxyethylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-4-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-3-carboxy-1-[(2S)-1-[(2S)-1-[(2S)-2-[N-[2-[(1R)-1-carboxy-2-sulfanylethyl]imino-2-hydroxyethyl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1,5-dihydroxy-5-iminopentan-2-yl]imino-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxy-4-methylsulfanylbutan-2-yl]imino-4-hydroxybutanoic acid
Molecular FormulaC87H138N22O28S2
Molecular Weight2004.3
XLogP4.4
Topological Polar Surface Area894
Hydrogen Bond Donor Count30
Hydrogen Bond Acceptor Count50
Rotatable Bond Count65
Heavy Atom Count139
Formal Charge0
Complexity4540
SMILES
CC(C)C[C@@H](C(=N[C@@H](CCC(=N)O)C(=NCC(=N[C@@H](CO)C(=N[C@@H](CC(C)C)C(=N[C@@H](CCC(=N)O)C(=N[C@@H](CC(=O)O)C(=N[C@@H](CCSC)C(=N[C@@H](CC(C)C)C(=N[C@@H](CC1=CNC2=CC=CC=C21)C(=N[C@@H](CCC(=N)O)C(=N[C@@H](CC(C)C)C(=N[C@@H](CC(=O)O)C(=N[C@@H](CC(C)C)C(=N[C@@H](CO)C(=O)N3CCC[C@H]3C(=NCC(=N[C@@H](CS)C(=O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)N
InChI
InChI=1S/C87H138N22O28S2/c1-41(2)27-48(88)72(121)97-50(18-21-65(89)112)73(122)93-36-68(115)95-61(38-110)84(133)104-54(28-42(3)4)77(126)98-52(20-23-67(91)114)75(124)106-59(33-70(117)118)82(131)100-53(24-26-139-11)76(125)102-55(29-43(5)6)78(127)105-58(32-46-35-92-49-16-13-12-15-47(46)49)81(130)99-51(19-22-66(90)113)74(123)101-56(30-44(7)8)79(128)107-60(34-71(119)120)83(132)103-57(31-45(9)10)80(129)108-62(39-111)86(135)109-25-14-17-64(109)85(134)94-37-69(116)96-63(40-138)87(136)137/h12-13,15-16,35,41-45,48,50-64,92,110-111,138H,14,17-34,36-40,88H2,1-11H3,(H2,89,112)(H2,90,113)(H2,91,114)(H,93,122)(H,94,134)(H,95,115)(H,96,116)(H,97,121)(H,98,126)(H,99,130)(H,100,131)(H,101,123)(H,102,125)(H,103,132)(H,104,133)(H,105,127)(H,106,124)(H,107,128)(H,108,129)(H,117,118)(H,119,120)(H,136,137)/t48-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-/m0/s1
InChIKey
NRYBAZVQPHGZNS-ZSOCWYAHSA-N
Chemical Structure
2D Structure
2D structure of Leptin
CAS: 177404-21-6
CID: 157010069
Formula: C87H138N22O28S2
MW: 2004.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight2004.3
XLogP34.4
Hydrogen Bond Donor Count30
Hydrogen Bond Acceptor Count50
Rotatable Bond Count65
Exact Mass2002.9492342
Monoisotopic Mass2002.9492342
Topological Polar Surface Area894 Ų
Heavy Atom Count139
Formal Charge0
Complexity4540
Isotope Atom Count0
Defined Atom Stereocenter Count16
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes