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HSV-gB2 (498-505)

CAT: 0931-TP1534-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-TP1534-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
149997-91-1
Target
HSV
Related Pathways
Microbiology/Virology
Bioactivity
This is the immunodominant epitope gB-8p from herpes simplex virus (HSV) glycoprotein B (gB), amino acids 498 to 505.
Smiles
[C@@H](CC1=CC=CC=C1)(NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CO)N)=O)CO)=O)[C@H](CC)C)=O)CCC(O)=O)=O)C(N[C@H](C(N[C@H](C(N[C@@H](CC(C)C)C(O)=O)=O)CCCNC(=N)N)=O)C)=O
Molecular Formula
C41H67N11O13
Molecular Weight
922.04
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

HSV-gB2 (498-505)
CAS Number149997-91-1
PubChem CID5478856
IUPAC Name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoic acid
Molecular FormulaC41H67N11O13
Molecular Weight922.0
XLogP-4.4
Topological Polar Surface Area409
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count15
Rotatable Bond Count30
Heavy Atom Count65
Formal Charge0
Complexity1640
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)N
InChI
InChI=1S/C41H67N11O13/c1-6-22(4)32(52-38(62)30(20-54)51-34(58)25(42)19-53)39(63)48-27(14-15-31(55)56)36(60)49-28(18-24-11-8-7-9-12-24)37(61)46-23(5)33(57)47-26(13-10-16-45-41(43)44)35(59)50-29(40(64)65)17-21(2)3/h7-9,11-12,21-23,25-30,32,53-54H,6,10,13-20,42H2,1-5H3,(H,46,61)(H,47,57)(H,48,63)(H,49,60)(H,50,59)(H,51,58)(H,52,62)(H,55,56)(H,64,65)(H4,43,44,45)/t22-,23-,25-,26-,27-,28-,29-,30-,32-/m0/s1
InChIKey
UBVOHDHFHIMSCO-YWZBYMRGSA-N
Chemical Structure
2D Structure
2D structure of HSV-gB2 (498-505)
CAS: 149997-91-1
CID: 5478856
Formula: C41H67N11O13
MW: 922.0
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight922.0
XLogP3-4.4
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count15
Rotatable Bond Count30
Exact Mass921.49198123
Monoisotopic Mass921.49198123
Topological Polar Surface Area409 Ų
Heavy Atom Count65
Formal Charge0
Complexity1640
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes