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SCPB

CAT: 1601-CCP1415-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:1601-CCP1415-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Peptide to SCPB
CAS Number
84746-43-0
Structure Composition
H-Met-Asn-Tyr-Leu-Ala-Phe-Pro-Arg-Met-NH2
Product Name Alternative
Cardioactive Peptide B (small)
Applications
A cardioactive peptide from Aplysia.
Purity
> 95%
Form
Lyophilized powder
Molecular Formula
C52H80N14O11S2
Molecular Weight
1141.43
Storage Conditions
Shipped at 4°C. Store at -20°C for one year.
Light Source
Synthetic

Chemical Information

small cardioactive peptide B

neuropeptide from Aplysia

CAS Number84746-43-0
PubChem CID123843
IUPAC Name(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-N-[(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]butanediamide
Molecular FormulaC52H80N14O11S2
Molecular Weight1141.4
XLogP-0.4
Topological Polar Surface Area471
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count15
Rotatable Bond Count34
Heavy Atom Count79
Formal Charge0
Complexity2070
SMILES
C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCSC)N
InChI
InChI=1S/C52H80N14O11S2/c1-29(2)25-37(63-48(74)38(26-32-15-17-33(67)18-16-32)64-49(75)39(28-42(54)68)62-45(71)34(53)19-23-78-4)47(73)59-30(3)44(70)65-40(27-31-11-7-6-8-12-31)51(77)66-22-10-14-41(66)50(76)61-36(13-9-21-58-52(56)57)46(72)60-35(43(55)69)20-24-79-5/h6-8,11-12,15-18,29-30,34-41,67H,9-10,13-14,19-28,53H2,1-5H3,(H2,54,68)(H2,55,69)(H,59,73)(H,60,72)(H,61,76)(H,62,71)(H,63,74)(H,64,75)(H,65,70)(H4,56,57,58)/t30-,34-,35-,36-,37-,38-,39-,40-,41-/m0/s1
InChIKey
IDATZUYVZKJKRE-SXMXEBDWSA-N
Chemical Structure
2D Structure
2D structure of small cardioactive peptide B
CAS: 84746-43-0
CID: 123843
Formula: C52H80N14O11S2
MW: 1141.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1141.4
XLogP3-0.4
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count15
Rotatable Bond Count34
Exact Mass1140.55724177
Monoisotopic Mass1140.55724177
Topological Polar Surface Area471 Ų
Heavy Atom Count79
Formal Charge0
Complexity2070
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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