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CSH103

CAT: 1601-CCP2230-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1601-CCP2230-03Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Peptide to CSH103
CAS Number
135546-44-0
Structure Composition
Ala-Asp-Ala-Gln-His-Ala-Thr-Pro-Pro-Lys-Lys-Lys-Arg-Lys-Val-Glu-Asp-Pro-Lys-Asp-Phe
Purity
> 95%
Form
Lyophilized powder
Molecular Formula
C106H172N32O32
Molecular Weight
2406.8
Storage Conditions
Shipped at 4°C. Store at -20°C for one year.
Light Source
Synthetic

Chemical Information

H-Ala-Asp-Ala-Gln-His-Ala-Thr-Pro-Pro-Lys-Lys-Lys-Arg-Lys-Val-Glu-Asp-Pro-Lys-Asp-Phe-OH
CAS Number135546-44-0
PubChem CID71311698
IUPAC Name(4S)-4-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]propanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-5-[[(2S)-1-[(2S)-2-[[(2S)-6-amino-1-[[(2S)-3-carboxy-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-carboxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Molecular FormulaC106H172N32O32
Molecular Weight2406.7
XLogP-20.9
Topological Polar Surface Area1050
Hydrogen Bond Donor Count34
Hydrogen Bond Acceptor Count40
Rotatable Bond Count81
Heavy Atom Count170
Formal Charge0
Complexity5320
SMILES
C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC5=CNC=N5)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)N)O
InChI
InChI=1S/C106H172N32O32/c1-55(2)83(101(165)128-69(36-38-79(141)142)94(158)132-73(52-82(147)148)102(166)136-45-21-32-75(136)99(163)127-65(29-13-18-42-110)92(156)131-72(51-81(145)146)98(162)133-74(105(169)170)48-60-24-8-7-9-25-60)134-95(159)66(30-14-19-43-111)124-91(155)67(31-20-44-117-106(114)115)125-89(153)63(27-11-16-40-108)122-88(152)62(26-10-15-39-107)123-90(154)64(28-12-17-41-109)126-100(164)76-33-22-46-137(76)103(167)77-34-23-47-138(77)104(168)84(59(6)139)135-87(151)58(5)120-96(160)70(49-61-53-116-54-118-61)130-93(157)68(35-37-78(113)140)121-86(150)57(4)119-97(161)71(50-80(143)144)129-85(149)56(3)112/h7-9,24-25,53-59,62-77,83-84,139H,10-23,26-52,107-112H2,1-6H3,(H2,113,140)(H,116,118)(H,119,161)(H,120,160)(H,121,150)(H,122,152)(H,123,154)(H,124,155)(H,125,153)(H,126,164)(H,127,163)(H,128,165)(H,129,149)(H,130,157)(H,131,156)(H,132,158)(H,133,162)(H,134,159)(H,135,151)(H,141,142)(H,143,144)(H,145,146)(H,147,148)(H,169,170)(H4,114,115,117)/t56-,57-,58-,59+,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,83-,84-/m0/s1
InChIKey
SZPOEPIILXQMAF-YABPZEJXSA-N
Chemical Structure
2D Structure
2D structure of H-Ala-Asp-Ala-Gln-His-Ala-Thr-Pro-Pro-Lys-Lys-Lys-Arg-Lys-Val-Glu-Asp-Pro-Lys-Asp-Phe-OH
CAS: 135546-44-0
CID: 71311698
Formula: C106H172N32O32
MW: 2406.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight2406.7
XLogP3-20.9
Hydrogen Bond Donor Count34
Hydrogen Bond Acceptor Count40
Rotatable Bond Count81
Exact Mass2406.2848963
Monoisotopic Mass2405.2815414
Topological Polar Surface Area1050 Ų
Heavy Atom Count170
Formal Charge0
Complexity5320
Isotope Atom Count0
Defined Atom Stereocenter Count22
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes