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Guanylin, Human

CAT: 1601-CCP1249-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:1601-CCP1249-01Size:1 mg
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Description
Peptide to Guanylin, Human
CAS Number
183200-12-6
Structure Composition
H-Pro-Gly-Thr-Cys-Glu-Ile-Cys-Ala-Tyr-Ala-Ala-Cys-Thr-Gly-Cys-OH (Disulfide bridge Cys4-Cys12, Cys7-Cys15)
Applications
Endogenous intestinal guanylate cyclase activator.
Purity
> 95%
Form
Lyophilized powder
Molecular Formula
C58H87N15O21S4
Molecular Weight
1458.68
Storage Conditions
Shipped at 4°C. Store at -20°C for one year.
Light Source
Synthetic

Chemical Information

Guanylin (human)
CAS Number183200-12-6
PubChem CID90488722
IUPAC Name(1R,4S,7S,10S,13S,16R,19S,22S,25R,32S,38R)-19-[(2S)-butan-2-yl]-22-(2-carboxyethyl)-32-[(1R)-1-hydroxyethyl]-10-[(4-hydroxyphenyl)methyl]-25-[[(2S,3R)-3-hydroxy-2-[[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]amino]butanoyl]amino]-4,7,13-trimethyl-3,6,9,12,15,18,21,24,30,33,36-undecaoxo-27,28,40,41-tetrathia-2,5,8,11,14,17,20,23,31,34,37-undecazabicyclo[14.13.13]dotetracontane-38-carboxylic acid
Molecular FormulaC58H87N15O21S4
Molecular Weight1458.7
XLogP-5.4
Topological Polar Surface Area656
Hydrogen Bond Donor Count20
Hydrogen Bond Acceptor Count26
Rotatable Bond Count16
Heavy Atom Count98
Formal Charge0
Complexity2880
SMILES
CC[C@H](C)[C@H]1C(=O)N[C@H]2CSSC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N1)CCC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@@H]3CCCN3)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)C)CC4=CC=C(C=C4)O)C)C)[C@@H](C)O)C(=O)O
InChI
InChI=1S/C58H87N15O21S4/c1-8-25(2)43-56(91)69-36-21-97-98-24-39(58(93)94)65-40(77)19-61-55(90)44(29(6)74)73-54(89)38(68-48(83)27(4)62-46(81)26(3)63-51(86)35(18-31-11-13-32(76)14-12-31)67-47(82)28(5)64-52(36)87)23-96-95-22-37(53(88)66-34(50(85)72-43)15-16-42(79)80)70-57(92)45(30(7)75)71-41(78)20-60-49(84)33-10-9-17-59-33/h11-14,25-30,33-39,43-45,59,74-76H,8-10,15-24H2,1-7H3,(H,60,84)(H,61,90)(H,62,81)(H,63,86)(H,64,87)(H,65,77)(H,66,88)(H,67,82)(H,68,83)(H,69,91)(H,70,92)(H,71,78)(H,72,85)(H,73,89)(H,79,80)(H,93,94)/t25-,26-,27-,28-,29+,30+,33-,34-,35-,36-,37-,38-,39-,43-,44-,45-/m0/s1
InChIKey
XPNQMTAYRNMRRD-RDJGHUJSSA-N
Chemical Structure
2D Structure
2D structure of Guanylin (human)
CAS: 183200-12-6
CID: 90488722
Formula: C58H87N15O21S4
MW: 1458.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1458.7
XLogP3-5.4
Hydrogen Bond Donor Count20
Hydrogen Bond Acceptor Count26
Rotatable Bond Count16
Exact Mass1457.50837954
Monoisotopic Mass1457.50837954
Topological Polar Surface Area656 Ų
Heavy Atom Count98
Formal Charge0
Complexity2880
Isotope Atom Count0
Defined Atom Stereocenter Count16
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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