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Gp100 (25-33)

CAT: 0466-SB129-2*5MGSize: 2x 5 mgDry Ice: NoHazardous: No
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CAT#:0466-SB129-2*5MGSize:2x 5 mg
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Description
Gp100 (25-33), human is a fragment of the human melanoma antigen. It is a 9-amino acid (AA) epitope restricted by H-2Db and recognized by the T cells. Gp100 (25-33) induces CD8+ T cells capable of recognizing B16 melanoma specifically.
CAS Number
212370-40-6
Sequence
KVPRNQDWL
Peptide Number
SB129

Chemical Information

Gp100 (25-33), human
CAS Number212370-40-6
PubChem CID25174094
IUPAC Name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-3-carboxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoic acid
Molecular FormulaC52H82N16O14
Molecular Weight1155.3
XLogP-8
Topological Polar Surface Area517
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count17
Rotatable Bond Count36
Heavy Atom Count82
Formal Charge0
Complexity2280
SMILES
CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)N
InChI
InChI=1S/C52H82N16O14/c1-26(2)21-37(51(81)82)66-46(76)34(22-28-25-60-31-13-6-5-11-29(28)31)63-48(78)36(24-41(71)72)65-45(75)33(16-17-39(55)69)61-47(77)35(23-40(56)70)64-44(74)32(14-9-19-59-52(57)58)62-49(79)38-15-10-20-68(38)50(80)42(27(3)4)67-43(73)30(54)12-7-8-18-53/h5-6,11,13,25-27,30,32-38,42,60H,7-10,12,14-24,53-54H2,1-4H3,(H2,55,69)(H2,56,70)(H,61,77)(H,62,79)(H,63,78)(H,64,74)(H,65,75)(H,66,76)(H,67,73)(H,71,72)(H,81,82)(H4,57,58,59)/t30-,32-,33-,34-,35-,36-,37-,38-,42-/m0/s1
InChIKey
BPGNBLOBUNIDNC-DYJKEWDMSA-N
Chemical Structure
2D Structure
2D structure of Gp100 (25-33), human
CAS: 212370-40-6
CID: 25174094
Formula: C52H82N16O14
MW: 1155.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1155.3
XLogP3-8
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count17
Rotatable Bond Count36
Exact Mass1154.61964135
Monoisotopic Mass1154.61964135
Topological Polar Surface Area517 Ų
Heavy Atom Count82
Formal Charge0
Complexity2280
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

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HY-P2506-01Gp100 (25-33), mouse
MBS5763754Gp100 (25-33), human
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HY-P1585A-01Gp100 (25-33), human (TFA)
GTR19144796-01Gp100 (25-33), mouse TFA
HY-P2506A-01Gp100 (25-33), mouse (TFA)
MBS5763672Gp100 (25-33), human TFA
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