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Chemical structure of PDC31

GC69678

PDC31

Also known as (2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[2-[[(2R)-2-[[(2R,3R)-2-amino-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid

PDC31 (THG113·31; ILGHXDYK) is a allosteric and non-competitive inhibitor of the FP Prostaglandin Receptor· PDC31 is an oligopeptide based on D-amino acids, used as a smooth muscle contractant· In vivo, PDC31 reduces the intensity and duration of uterine contractions and can be used in research for preterm labor and primary dysmenorrhea (PD)· PDC31 also enhances Ca2+-dependent large conductance K+ channels in human uterine smooth muscle cells

ChemicalCAS634586-40-6MW1002.12FormulaC45H71N13O13
CAS number
634586-40-6
Molecular weight
1002.12
Formula
C45H71N13O13
Solubility
H2O ： 100 mg/mL (99·79 mM; Need ultrasonic)
InChIKey
IVQBXMPXSLAIFC-OSMHAOILSA-N
Catalogue number
GC69678
Brand
GLPBIO
Computed properties PubChem CID 57392015 · XLogP -5.8 · TPSA 434 Ų · H-bond donors 15
XLogP
-5.8
TPSA
434 Ų
H-bond donors
15
H-bond acceptors
16
Rotatable bonds
33
Heavy atoms
71

SMILES CC[C@@H](C)[C@H](C(=O)N[C@H](CC(C)C)C(=O)NCC(=O)N[C@H](CC1=CN=CN1)C(=O)N[C@H](CCCNC(=O)N)C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CC2=CC=C(C=C2)O)C(=O)N[C@H](CCCCN)C(=O)O)N

Computed descriptors from PubChem (CID 57392015), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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