MART-1 (27-35) (human)
(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoic acid
Molecular Identity
MART-1 (27-35) (human)
(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoic acid
PubChem CID: 9897305
2D Structure
Properties
C37H67N9O11
Molecular Formula
814.00
Molecular Weight
g/mol
813.4960
Exact Mass
Da
-2.3
XLogP
Drug-like (Lipinski: < 5)
316
TPSA
May have limited oral absorption
11
H-Bond Donors
12
H-Bond Acceptors
1410
Complexity
SMILES
Canonical SMILES
SMILES: CCC(C)C(C(=O)NCC(=O)NC(C(C)CC)C(=O)NC(CC(C)C)C(=O)NC(C(C)O)C(=O)NC(C(C)C)C(=O)O)NC(=O)CNC(=O)C(C)NC(=O)C(C)NIsomeric SMILES
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)NSynonyms(17)
MART-1 (27-35) (human)CHEMBL261936874310-50-6MART-1 AntigenMART1 antigenMelan - a/mart - 1 (27 - 35)UNII-IZR7IV8369orb321116IZR7IV8369SCHEMBL29385432Mart-1(27-35) peptide antigenBDBM50409412NCGC00167162-01BP-50360HY-106187
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to MART-1 (27-35) (human)
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