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Somatostatin-14 (3-10)

CAT: 1601-CCP2899-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:1601-CCP2899-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Peptide to Somatostatin-14 (3-10)
CAS Number
331627-82-8
Structure Composition
Cys-Lys-Asn-Phe-Phe-Trp-Lys-Thr
Purity
> 95%
Form
Lyophilized powder
Molecular Formula
C52H72N12O11S
Molecular Weight
1073.28
Storage Conditions
Shipped at 4°C. Store at -20°C for one year.
Light Source
Synthetic

Chemical Information

H-Cys-lys-asn-phe-phe-trp-lys-thr-OH
CAS Number331627-82-8
PubChem CID71312186
IUPAC Name(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-3-hydroxybutanoic acid
Molecular FormulaC52H72N12O11S
Molecular Weight1073.3
XLogP-2.6
Topological Polar Surface Area399
Hydrogen Bond Donor Count15
Hydrogen Bond Acceptor Count15
Rotatable Bond Count33
Heavy Atom Count76
Formal Charge0
Complexity1910
SMILES
C[C@H]([C@@H](C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)N)O
InChI
InChI=1S/C52H72N12O11S/c1-30(65)44(52(74)75)64-47(69)38(21-11-13-23-54)59-50(72)41(26-33-28-57-36-19-9-8-18-34(33)36)62-49(71)40(25-32-16-6-3-7-17-32)60-48(70)39(24-31-14-4-2-5-15-31)61-51(73)42(27-43(56)66)63-46(68)37(20-10-12-22-53)58-45(67)35(55)29-76/h2-9,14-19,28,30,35,37-42,44,57,65,76H,10-13,20-27,29,53-55H2,1H3,(H2,56,66)(H,58,67)(H,59,72)(H,60,70)(H,61,73)(H,62,71)(H,63,68)(H,64,69)(H,74,75)/t30-,35+,37+,38+,39+,40+,41+,42+,44+/m1/s1
InChIKey
NXKPSJBXWYFMKT-LWTFXWKPSA-N
Chemical Structure
2D Structure
2D structure of H-Cys-lys-asn-phe-phe-trp-lys-thr-OH
CAS: 331627-82-8
CID: 71312186
Formula: C52H72N12O11S
MW: 1073.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight1073.3
XLogP3-2.6
Hydrogen Bond Donor Count15
Hydrogen Bond Acceptor Count15
Rotatable Bond Count33
Exact Mass1072.51642233
Monoisotopic Mass1072.51642233
Topological Polar Surface Area399 Ų
Heavy Atom Count76
Formal Charge0
Complexity1910
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