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OVA Peptide (323-339)

CAT: 0926-POV-3636-PI-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-POV-3636-PI-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
92915-79-2
Smiles
CCC (C) C (C (=O) NC (CO) C (=O) NC (CCC (=O) N) C (=O) NC (C) C (=O) NC (C (C) C) C (=O) NC (CC1=CNC=N1) C (=O) NC (C) C (=O) NC (C) C (=O) NC (CC2=CNC=N2) C (=O) NC (C) C (=O) NC (CCC (=O) O) C (=O) NC (C (C) CC) C (=O) NC (CC (=O) N) C (=O) NC (CCC (=O) O) C (=O) NC (C) C (=O) NCC (=O) NC (CCCNC (=N) N) C (=O) O) N
Molecular Formula
C74H120N26O25
Molecular Weight
1,773.94 g/mol
Controlled
No

Chemical Information

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]propanoyl]amino]propanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]propanoyl]amino]-5-[[(2S,3S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(1S)-4-carbamimidamido-1-carboxybutyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

See also: Ovalbumin peptide (preferred).

CAS Number92915-79-2
PubChem CID56832351
IUPAC Name(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]propanoyl]amino]propanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]propanoyl]amino]-5-[[(2S,3S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(1S)-4-carbamimidamido-1-carboxybutyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
Molecular FormulaC74H120N26O25
Molecular Weight1773.9
XLogP-9.9
Topological Polar Surface Area829
Hydrogen Bond Donor Count28
Hydrogen Bond Acceptor Count29
Rotatable Bond Count59
Heavy Atom Count125
Formal Charge0
Complexity3800
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC2=CNC=N2)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)N
InChI
InChI=1S/C74H120N26O25/c1-12-33(5)55(77)70(121)98-49(29-101)69(120)94-42(16-19-50(75)102)63(114)88-39(11)62(113)99-56(32(3)4)71(122)96-47(24-41-27-81-31-85-41)67(118)89-36(8)59(110)86-37(9)61(112)95-46(23-40-26-80-30-84-40)66(117)90-38(10)60(111)92-44(18-21-54(107)108)65(116)100-57(34(6)13-2)72(123)97-48(25-51(76)103)68(119)93-43(17-20-53(105)106)64(115)87-35(7)58(109)83-28-52(104)91-45(73(124)125)15-14-22-82-74(78)79/h26-27,30-39,42-49,55-57,101H,12-25,28-29,77H2,1-11H3,(H2,75,102)(H2,76,103)(H,80,84)(H,81,85)(H,83,109)(H,86,110)(H,87,115)(H,88,114)(H,89,118)(H,90,117)(H,91,104)(H,92,111)(H,93,119)(H,94,120)(H,95,112)(H,96,122)(H,97,123)(H,98,121)(H,99,113)(H,100,116)(H,105,106)(H,107,108)(H,124,125)(H4,78,79,82)/t33-,34-,35-,36-,37-,38-,39-,42-,43-,44-,45-,46-,47-,48-,49-,55-,56-,57-/m0/s1
InChIKey
GSSMIHQEWAQUPM-AOLPDKKJSA-N
Chemical Structure
2D Structure
2D structure of (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]propanoyl]amino]propanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]propanoyl]amino]-5-[[(2S,3S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(1S)-4-carbamimidamido-1-carboxybutyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
CAS: 92915-79-2
CID: 56832351
Formula: C74H120N26O25
MW: 1773.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1773.9
XLogP3-9.9
Hydrogen Bond Donor Count28
Hydrogen Bond Acceptor Count29
Rotatable Bond Count59
Exact Mass1772.8917934
Monoisotopic Mass1772.8917934
Topological Polar Surface Area829 Ų
Heavy Atom Count125
Formal Charge0
Complexity3800
Isotope Atom Count0
Defined Atom Stereocenter Count18
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

CatalogName
T78000OVA Peptide (323-339)
GTR18897544-01OVA (323-339) peptide
TP1339-01OVA Peptide 323-339
350312OVA [323-339] Peptide
A22241-10OVA Peptide (323-339) 10mg
VCar-Ly014Ovalbumin Peptide OVA (323-339)
A22241-5OVA Peptide (323-339) 5mg
A22241-1OVA Peptide (323-339) 1mg
OVA3231-PChicken egg ovalbumin OVA (323-339) peptide control peptide
AV-9320-10Ovalbumin peptide OVA (Gal d 2, 323-339) MHC class II peptide

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