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MART-1 (26-35) (human)

CAT: 0121-4027904.0005Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0121-4027904.0005Size:5 mg
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CAS Number
156251-01-3
Specifications
H-4102.0005
Synonyms
Melanoma Antigen Recognized By T-Cells 1 (26-35) (human) Melan-A Protein (26-35) (human) Antigen SK29-AA (26-35) (human) Antigen LB39-AA (26-35) (human)
Sequence
H-Glu-Ala-Ala-Gly-Ile-Gly-Ile-Leu-Thr-Val-OH
Molecular Formula
C₄₂H₇₄N₁₀O₁₄
Molecular Weight
943.11
Shipping Conditions
Ambient Temperature
Storage Temperature
< -15°C

Chemical Information

MART-1 (26-35) human
CAS Number156251-01-3
PubChem CID9876306
IUPAC Name(4S)-4-amino-5-[[(2S)-1-[[(2S)-1-[[2-[[(2S,3S)-1-[[2-[[(2S,3S)-1-[[(2S)-1-[[(2S,3R)-1-[[(1S)-1-carboxy-2-methylpropyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Molecular FormulaC42H74N10O14
Molecular Weight943.1
XLogP-2.3
Topological Polar Surface Area383
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count15
Rotatable Bond Count30
Heavy Atom Count66
Formal Charge0
Complexity1710
SMILES
CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)N
InChI
InChI=1S/C42H74N10O14/c1-12-21(7)32(49-28(54)17-44-35(58)23(9)46-36(59)24(10)47-37(60)26(43)14-15-30(56)57)39(62)45-18-29(55)50-33(22(8)13-2)40(63)48-27(16-19(3)4)38(61)52-34(25(11)53)41(64)51-31(20(5)6)42(65)66/h19-27,31-34,53H,12-18,43H2,1-11H3,(H,44,58)(H,45,62)(H,46,59)(H,47,60)(H,48,63)(H,49,54)(H,50,55)(H,51,64)(H,52,61)(H,56,57)(H,65,66)/t21-,22-,23-,24-,25+,26-,27-,31-,32-,33-,34-/m0/s1
InChIKey
TUIOKRGNEZUFAI-NMIMMQBESA-N
Chemical Structure
2D Structure
2D structure of MART-1 (26-35) human
CAS: 156251-01-3
CID: 9876306
Formula: C42H74N10O14
MW: 943.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight943.1
XLogP3-2.3
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count15
Rotatable Bond Count30
Exact Mass942.53859707
Monoisotopic Mass942.53859707
Topological Polar Surface Area383 Ų
Heavy Atom Count66
Formal Charge0
Complexity1710
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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