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Gluten Exorphin C 5mg

CAT: 0628-A23131-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A23131-5Size:5 mg
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CAS Number
142479-62-7

Chemical Information

Gluten Exorphin C

Gluten exorphin C is an oligopeptide.

CAS Number142479-62-7
PubChem CID25221466
IUPAC Name(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoic acid
Molecular FormulaC29H45N5O8
Molecular Weight591.7
XLogP-1.2
Topological Polar Surface Area211
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count9
Rotatable Bond Count15
Heavy Atom Count42
Formal Charge0
Complexity939
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC2=CC=C(C=C2)O)N
InChI
InChI=1S/C29H45N5O8/c1-5-17(4)24(27(39)32-22(15-35)25(37)31-21(29(41)42)13-16(2)3)33-26(38)23-7-6-12-34(23)28(40)20(30)14-18-8-10-19(36)11-9-18/h8-11,16-17,20-24,35-36H,5-7,12-15,30H2,1-4H3,(H,31,37)(H,32,39)(H,33,38)(H,41,42)/t17-,20-,21-,22-,23-,24-/m0/s1
InChIKey
QFRLEUJNZXTNTR-YYOLRRQBSA-N
Chemical Structure
2D Structure
2D structure of Gluten Exorphin C
CAS: 142479-62-7
CID: 25221466
Formula: C29H45N5O8
MW: 591.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight591.7
XLogP3-1.2
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count9
Rotatable Bond Count15
Exact Mass591.32681341
Monoisotopic Mass591.32681341
Topological Polar Surface Area211 Ų
Heavy Atom Count42
Formal Charge0
Complexity939
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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4025054.0100Gluten Exorphin A5
4025007.0100Gluten Exorphin B5
H-1412.0025Gluten Exorphin C

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