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[Arg8]-Conopressin G

CAT: 1601-CCP1627-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:1601-CCP1627-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Peptide to [Arg8]-Conopressin G
CAS Number
130836-24-7
Structure Composition
Cys-Phe-Ile-Arg-Asn-Cys-Pro-Arg-Gly-NH2 (Disulfide bridge Cys1-Cys6)
Purity
> 95%
Form
Lyophilized powder
Molecular Formula
C44H71N17O10S2
Molecular Weight
1062.29
Storage Conditions
Shipped at 4°C. Store at -20°C for one year.
Light Source
Synthetic

Chemical Information

(Arg8)-Conopressin G
CAS Number130836-24-7
PubChem CID131698156
IUPAC Name(2S)-1-[(4R,7S,10S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-16-benzyl-13-[(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;2,2,2-trifluoroacetic acid
Molecular FormulaC46H72F3N17O12S2
Molecular Weight1176.3
Topological Polar Surface Area553
Hydrogen Bond Donor Count15
Hydrogen Bond Acceptor Count20
Rotatable Bond Count20
Heavy Atom Count80
Formal Charge0
Complexity2090
SMILES
CC[C@H](C)C1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N)CC(=O)N)CCCN=C(N)N.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C44H71N17O10S2.C2HF3O2/c1-3-23(2)34-41(70)56-27(13-8-16-53-44(50)51)37(66)58-29(19-32(46)62)38(67)59-30(22-73-72-21-25(45)35(64)57-28(39(68)60-34)18-24-10-5-4-6-11-24)42(71)61-17-9-14-31(61)40(69)55-26(12-7-15-52-43(48)49)36(65)54-20-33(47)63;3-2(4,5)1(6)7/h4-6,10-11,23,25-31,34H,3,7-9,12-22,45H2,1-2H3,(H2,46,62)(H2,47,63)(H,54,65)(H,55,69)(H,56,70)(H,57,64)(H,58,66)(H,59,67)(H,60,68)(H4,48,49,52)(H4,50,51,53);(H,6,7)/t23-,25-,26-,27-,28-,29-,30-,31-,34?;/m0./s1
InChIKey
ZVHQBOSXXFECJK-UTFRWJAKSA-N
Chemical Structure
2D Structure
2D structure of (Arg8)-Conopressin G
CAS: 130836-24-7
CID: 131698156
Formula: C46H72F3N17O12S2
MW: 1176.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1176.3
Hydrogen Bond Donor Count15
Hydrogen Bond Acceptor Count20
Rotatable Bond Count20
Exact Mass1175.49398763
Monoisotopic Mass1175.49398763
Topological Polar Surface Area553 Ų
Heavy Atom Count80
Formal Charge0
Complexity2090
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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