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Chemical structure of p2Ca

GC31861

p2Ca

Also known as (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoic acid

p2Ca, an 8-mer peptide, is a ligand that is naturally processed and presented to the Ld-alloreactive T cell clone, 2C

ChemicalCAS142606-55-1MW935.07FormulaC47H66N8O12
CAS number
142606-55-1
Molecular weight
935.07
Formula
C47H66N8O12
Solubility
Soluble in Water
InChIKey
RLTLDVPHEYUGFZ-QSVFAHTRSA-N
Catalogue number
GC31861
Brand
GLPBIO
Computed properties PubChem CID 132457 · XLogP -0.3 · TPSA 307 Ų · H-bond donors 9
XLogP
-0.3
TPSA
307 Ų
H-bond donors
9
H-bond acceptors
13
Rotatable bonds
24
Heavy atoms
67

SMILES CC(C)C[C@@H](C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O)N

Computed descriptors from PubChem (CID 132457), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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