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Chemical structure of SOR-C13

GC74344

SOR-C13

Also known as (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-3-carboxy-1-[[(2S)-1-[(2S)-2-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-[[(2S)-2,6-diaminohexanoyl]amino]-5-oxopentanoic acid

SOR-C13, a carboxy-terminal truncated peptide, is a high-affinity TRPV6 antagonist with an IC50 value of 14 nM

ChemicalCAS1187852-48-7MW1565.81FormulaC72H116N20O19
CAS number
1187852-48-7
Molecular weight
1565.81
Formula
C72H116N20O19
InChIKey
LGANPTNILMNMES-TVNHODDRSA-N
Catalogue number
GC74344
Brand
GLPBIO
Computed properties PubChem CID 121596688 · XLogP -9.1 · TPSA 635 Ų · H-bond donors 20
XLogP
-9.1
TPSA
635 Ų
H-bond donors
20
H-bond acceptors
24
Rotatable bonds
50
Heavy atoms
111

SMILES CC(C)C[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)N

Computed descriptors from PubChem (CID 121596688), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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