Products for Research Use Only

Spinorphin

CAT: 0607-A4409-1Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0607-A4409-1Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
P2X3 receptors against
CAS Number
137201-62-8
Product Name Alternative
2-(2-(1-(2-(2-(2-(2-amino-4-methylpentanamido)-3-methylbutanamido)-3-methylbutanamido)-3-(4-hydroxyphenyl)propanoyl)pyrrolidine-2-carboxamido)-3-(1H-indol-3-yl)propanamido)-3-hydroxybutanoic acid
Field of Research
Proteases ACE
Purity
0.98
Form
White lyophilised solid
Solubility
Soluble to 1 mg/ml in H2O
Smiles
CC(C)CC(C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)N2CCCC2C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(C(C)O)C(=O)O)N
Molecular Formula
C45H64N8O10
Molecular Weight
877.05
Shipping Conditions
Blue ice
Storage Conditions
Desiccate at -20°C.

Chemical Information

Spinorphin

Spinorphin is an oligopeptide.

CAS Number137201-62-8
PubChem CID3081832
IUPAC Name(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxybutanoic acid
Molecular FormulaC45H64N8O10
Molecular Weight877.0
XLogP1
Topological Polar Surface Area285
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count11
Rotatable Bond Count21
Heavy Atom Count63
Formal Charge0
Complexity1590
SMILES
C[C@H]([C@@H](C(=O)O)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)N)O
InChI
InChI=1S/C45H64N8O10/c1-23(2)19-31(46)39(56)50-37(25(5)6)43(60)51-36(24(3)4)42(59)49-34(20-27-14-16-29(55)17-15-27)44(61)53-18-10-13-35(53)41(58)48-33(40(57)52-38(26(7)54)45(62)63)21-28-22-47-32-12-9-8-11-30(28)32/h8-9,11-12,14-17,22-26,31,33-38,47,54-55H,10,13,18-21,46H2,1-7H3,(H,48,58)(H,49,59)(H,50,56)(H,51,60)(H,52,57)(H,62,63)/t26-,31+,33+,34+,35+,36+,37+,38+/m1/s1
InChIKey
BXIFNVGZIMFBQB-DYDSHOKNSA-N
Chemical Structure
2D Structure
2D structure of Spinorphin
CAS: 137201-62-8
CID: 3081832
Formula: C45H64N8O10
MW: 877.0
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight877.0
XLogP31
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count11
Rotatable Bond Count21
Exact Mass876.47454027
Monoisotopic Mass876.47454027
Topological Polar Surface Area285 Ų
Heavy Atom Count63
Formal Charge0
Complexity1590
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes