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Β-MSH (porcine)

CAT: 1410-M40024Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1410-M40024Size:1 Each
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Description
Β-MSH (porcine)
CAS Number
19941-13-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
2176.4
Molecular Formula
C98H138N26O29S
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

(2S)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-4-carboxybutanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]butanedioic acid
CAS Number19941-13-0
PubChem CID71308465
IUPAC Name(2S)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-4-carboxybutanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]butanedioic acid
Molecular FormulaC98H138N26O29S
Molecular Weight2176.4
XLogP-11.9
Topological Polar Surface Area905
Hydrogen Bond Donor Count29
Hydrogen Bond Acceptor Count35
Rotatable Bond Count67
Heavy Atom Count154
Formal Charge0
Complexity4770
SMILES
CSCC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)NCC(=O)N[C@@H](CO)C(=O)N5CCC[C@H]5C(=O)N6CCC[C@H]6C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC7=CC=C(C=C7)O)NC(=O)[C@@H]8CCCN8C(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)N
InChI
InChI=1S/C98H138N26O29S/c1-154-40-33-66(115-85(140)61(19-7-9-34-99)112-91(146)68(42-54-25-27-57(126)28-26-54)120-93(148)73-22-12-37-122(73)77(128)50-108-83(138)64(29-31-78(129)130)111-82(137)59(101)45-80(133)134)89(144)114-65(30-32-79(131)132)88(143)119-70(44-56-48-104-52-109-56)92(147)117-67(41-53-15-3-2-4-16-53)90(145)113-63(21-11-36-105-98(102)103)86(141)118-69(43-55-47-106-60-18-6-5-17-58(55)60)84(139)107-49-76(127)110-72(51-125)95(150)124-39-14-24-75(124)96(151)123-38-13-23-74(123)94(149)116-62(20-8-10-35-100)87(142)121-71(97(152)153)46-81(135)136/h2-6,15-18,25-28,47-48,52,59,61-75,106,125-126H,7-14,19-24,29-46,49-51,99-101H2,1H3,(H,104,109)(H,107,139)(H,108,138)(H,110,127)(H,111,137)(H,112,146)(H,113,145)(H,114,144)(H,115,140)(H,116,149)(H,117,147)(H,118,141)(H,119,143)(H,120,148)(H,121,142)(H,129,130)(H,131,132)(H,133,134)(H,135,136)(H,152,153)(H4,102,103,105)/t59-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-/m0/s1
InChIKey
KGWQRCLFOYBGIG-VOWYHKLBSA-N
Chemical Structure
2D Structure
2D structure of (2S)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-4-carboxybutanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]butanedioic acid
CAS: 19941-13-0
CID: 71308465
Formula: C98H138N26O29S
MW: 2176.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight2176.4
XLogP3-11.9
Hydrogen Bond Donor Count29
Hydrogen Bond Acceptor Count35
Rotatable Bond Count67
Exact Mass2175.9877285
Monoisotopic Mass2174.9843736
Topological Polar Surface Area905 Ų
Heavy Atom Count154
Formal Charge0
Complexity4770
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

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