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SCPA

CAT: 1601-CCP1414-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1601-CCP1414-03Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Peptide to SCPA
CAS Number
98035-79-1
Structure Composition
H-Ala-Arg-Pro-Gly-Tyr-Leu-Ala-Phe-Pro-Arg-Met-NH2
Product Name Alternative
Small Cardioactive Peptide A, Cardioactive Peptide A (small)
Applications
A cardioactive peptide from Aplysia.
Purity
> 95%
Form
Lyophilized powder
Molecular Formula
C59H92N18O12S
Molecular Weight
1277.57
Storage Conditions
Shipped at 4°C. Store at -20°C for one year.
Light Source
Synthetic

Chemical Information

small cardioactive peptide A

amino acid sequence given in first source

CAS Number98035-79-1
PubChem CID5486807
IUPAC Name(2S)-N-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carboxamide
Molecular FormulaC59H92N18O12S
Molecular Weight1277.5
XLogP-1.3
Topological Polar Surface Area517
Hydrogen Bond Donor Count15
Hydrogen Bond Acceptor Count16
Rotatable Bond Count36
Heavy Atom Count90
Formal Charge0
Complexity2490
SMILES
C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCSC)C(=O)N)N
InChI
InChI=1S/C59H92N18O12S/c1-33(2)29-42(74-53(85)43(30-37-19-21-38(78)22-20-37)70-47(79)32-68-54(86)45-17-11-26-76(45)56(88)41(73-49(81)34(3)60)16-10-25-67-59(64)65)52(84)69-35(4)50(82)75-44(31-36-13-7-6-8-14-36)57(89)77-27-12-18-46(77)55(87)72-40(15-9-24-66-58(62)63)51(83)71-39(48(61)80)23-28-90-5/h6-8,13-14,19-22,33-35,39-46,78H,9-12,15-18,23-32,60H2,1-5H3,(H2,61,80)(H,68,86)(H,69,84)(H,70,79)(H,71,83)(H,72,87)(H,73,81)(H,74,85)(H,75,82)(H4,62,63,66)(H4,64,65,67)/t34-,35-,39-,40-,41-,42-,43-,44-,45-,46-/m0/s1
InChIKey
GBIKRMXHJFTOHS-LRHNFOCQSA-N
Chemical Structure
2D Structure
2D structure of small cardioactive peptide A
CAS: 98035-79-1
CID: 5486807
Formula: C59H92N18O12S
MW: 1277.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1277.5
XLogP3-1.3
Hydrogen Bond Donor Count15
Hydrogen Bond Acceptor Count16
Rotatable Bond Count36
Exact Mass1276.68628162
Monoisotopic Mass1276.68628162
Topological Polar Surface Area517 Ų
Heavy Atom Count90
Formal Charge0
Complexity2490
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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