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(Lys8) -Conopressin S

CAT: 1410-M39891Size: 1 EachDry Ice: NoHazardous: No
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Description
(Lys8) -Conopressin S
CAS Number
130836-26-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
1000.26
Molecular Formula
C41H73N15O10S2
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

(Lys8)-Conopressin S
CAS Number130836-26-9
PubChem CID131698158
IUPAC Name(2S)-N-[(2S)-6-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxohexan-2-yl]-1-[(4R,7S,10S,13S,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]pyrrolidine-2-carboxamide
Molecular FormulaC41H73N15O10S2
Molecular Weight1000.2
XLogP-4.1
Topological Polar Surface Area477
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count15
Rotatable Bond Count20
Heavy Atom Count68
Formal Charge0
Complexity1810
SMILES
CC[C@H](C)[C@H]1C(=O)N[C@H](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](CCCCN)C(=O)NCC(=O)N)CC(=O)N)CCCN=C(N)N)[C@@H](C)CC
InChI
InChI=1S/C41H73N15O10S2/c1-5-21(3)31-38(64)51-25(12-9-15-48-41(46)47)35(61)52-26(17-29(44)57)36(62)53-27(20-68-67-19-23(43)33(59)54-32(22(4)6-2)39(65)55-31)40(66)56-16-10-13-28(56)37(63)50-24(11-7-8-14-42)34(60)49-18-30(45)58/h21-28,31-32H,5-20,42-43H2,1-4H3,(H2,44,57)(H2,45,58)(H,49,60)(H,50,63)(H,51,64)(H,52,61)(H,53,62)(H,54,59)(H,55,65)(H4,46,47,48)/t21-,22-,23-,24-,25-,26-,27-,28-,31-,32-/m0/s1
InChIKey
OAWOKFQUEUZKDE-GDVWXNPYSA-N
Chemical Structure
2D Structure
2D structure of (Lys8)-Conopressin S
CAS: 130836-26-9
CID: 131698158
Formula: C41H73N15O10S2
MW: 1000.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1000.2
XLogP3-4.1
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count15
Rotatable Bond Count20
Exact Mass999.51062593
Monoisotopic Mass999.51062593
Topological Polar Surface Area477 Ų
Heavy Atom Count68
Formal Charge0
Complexity1810
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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CatalogName
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FL110466-01(Lys8) -Conopressin S
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065-04[Lys8]-Conopressin S (Conus striatus)
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SP-89534-5[Lys8]-Conopressin S [Cys-Ile-Ile-Arg-Asn-Cys-Pro-Lys-Gly-NH2 (Disulfide bridge:Cys1-Cys6) ; MW 1000.26]
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