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Leptin (93-105), human 5mg

CAT: 0628-A23469-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A23469-5Size:5 mg
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CAS Number
200436-43-7

Chemical Information

Leptin (93-105) (human)
CAS Number200436-43-7
PubChem CID102214966
IUPAC Name(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-5-[[(2S)-4-amino-1-[[(2S)-1-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-5-oxopentanoic acid
Molecular FormulaC64H110N20O23
Molecular Weight1527.7
XLogP-9.1
Topological Polar Surface Area744
Hydrogen Bond Donor Count23
Hydrogen Bond Acceptor Count25
Rotatable Bond Count53
Heavy Atom Count107
Formal Charge0
Complexity3190
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)N)N
InChI
InChI=1S/C64H110N20O23/c1-11-30(9)49(83-53(96)33(15-17-42(66)86)74-61(104)50(31(10)12-2)84-60(103)48(29(7)8)82-51(94)32(65)22-43(67)87)62(105)81-41(26-85)59(102)79-39(24-45(69)89)57(100)80-40(25-47(92)93)58(101)77-36(20-27(3)4)54(97)73-34(16-18-46(90)91)52(95)78-38(23-44(68)88)56(99)76-37(21-28(5)6)55(98)75-35(63(106)107)14-13-19-72-64(70)71/h27-41,48-50,85H,11-26,65H2,1-10H3,(H2,66,86)(H2,67,87)(H2,68,88)(H2,69,89)(H,73,97)(H,74,104)(H,75,98)(H,76,99)(H,77,101)(H,78,95)(H,79,102)(H,80,100)(H,81,105)(H,82,94)(H,83,96)(H,84,103)(H,90,91)(H,92,93)(H,106,107)(H4,70,71,72)/t30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,48-,49-,50-/m0/s1
InChIKey
OFDBWUQCFOBTMQ-BPVWZOJZSA-N
Chemical Structure
2D Structure
2D structure of Leptin (93-105) (human)
CAS: 200436-43-7
CID: 102214966
Formula: C64H110N20O23
MW: 1527.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight1527.7
XLogP3-9.1
Hydrogen Bond Donor Count23
Hydrogen Bond Acceptor Count25
Rotatable Bond Count53
Exact Mass1526.80526984
Monoisotopic Mass1526.80526984
Topological Polar Surface Area744 Ų
Heavy Atom Count107
Formal Charge0
Complexity3190
Isotope Atom Count0
Defined Atom Stereocenter Count15
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes