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Conopressin S

CAT: 0804-HY-P1737Size: 1 EachDry Ice: NoHazardous: No
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Description
Conopressin S, isolated from Conus striatus, shows high affinity with vasopressin V1b receptor (AVPR1B), with a Ki of 8.3 nM[1].
CAS Number
111317-90-9
Product Name Alternative
Con-S
UNSPSC
12352209
Target
Others
Type
Peptides
Related Pathways
Others
Applications
Neuroscience-Neuromodulation
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/conopressin-s.html
Solubility
H2O
Smiles
O=C([C@H]1NC([C@@H](NC([C@@H](NC([C@](NC([C@](NC([C@H](CSSC1)N)=O)([H])[C@@H](C)CC)=O)([H])[C@@H](C)CC)=O)CCCNC(N)=N)=O)CC(N)=O)=O)N2[C@@H](CCC2)C(N[C@H](C(NCC(N)=O)=O)CCCNC(N)=N)=O
Molecular Formula
C41H73N17O10S2
Molecular Weight
1028.26
References & Citations
[1]Dutertre S, et al. Conopressin-T from Conus tulipa reveals an antagonist switch in vasopressin-like peptides. J Biol Chem. 2008 Mar 14;283 (11) :7100-8.
Shipping Conditions
Room temperature
Scientific Category
Peptides
Clinical Information
Phase 1

Chemical Information

Conopressin S
CAS Number111317-90-9
PubChem CID183247
IUPAC Name(2S)-1-[(4R,7S,10S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-13,16-bis[(2S)-butan-2-yl]-10-[3-(diaminomethylideneamino)propyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
Molecular FormulaC41H73N17O10S2
Molecular Weight1028.3
XLogP-5
Topological Polar Surface Area516
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count15
Rotatable Bond Count20
Heavy Atom Count70
Formal Charge0
Complexity1920
SMILES
CC[C@H](C)[C@H]1C(=O)NC(C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N1)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N)CC(=O)N)CCCN=C(N)N)[C@@H](C)CC
InChI
InChI=1S/C41H73N17O10S2/c1-5-20(3)30-37(66)53-24(11-8-14-50-41(47)48)34(63)54-25(16-28(43)59)35(64)55-26(19-70-69-18-22(42)32(61)56-31(21(4)6-2)38(67)57-30)39(68)58-15-9-12-27(58)36(65)52-23(10-7-13-49-40(45)46)33(62)51-17-29(44)60/h20-27,30-31H,5-19,42H2,1-4H3,(H2,43,59)(H2,44,60)(H,51,62)(H,52,65)(H,53,66)(H,54,63)(H,55,64)(H,56,61)(H,57,67)(H4,45,46,49)(H4,47,48,50)/t20-,21-,22-,23-,24-,25-,26-,27-,30?,31-/m0/s1
InChIKey
VXIFAUSRCYILTD-FMWAODGFSA-N
Chemical Structure
2D Structure
2D structure of Conopressin S
CAS: 111317-90-9
CID: 183247
Formula: C41H73N17O10S2
MW: 1028.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1028.3
XLogP3-5
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count15
Rotatable Bond Count20
Exact Mass1027.51677394
Monoisotopic Mass1027.51677394
Topological Polar Surface Area516 Ų
Heavy Atom Count70
Formal Charge0
Complexity1920
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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