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Chemical structure of PD 173212

GC11678

PD 173212

Also known as (2S)-N-[(2S)-1-(tert-butylamino)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]-2-[(4-tert-butylphenyl)methyl-methylamino]-4-methylpentanamide

N-type voltage-gated calcium channel blocker

ChemicalCAS217171-01-2MW599.85FormulaC38H53N3O3
CAS number
217171-01-2
Molecular weight
599.85
Formula
C38H53N3O3
Solubility
DMSO： 100 mM,Ethanol： 100 mM
InChIKey
GCDHMGROXQUFNR-HEVIKAOCSA-N
Catalogue number
GC11678
Brand
GLPBIO
Computed properties PubChem CID 9916734 · XLogP 8.3 · TPSA 70.7 Ų · H-bond donors 2
XLogP
8.3
TPSA
70.7 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
15
Heavy atoms
44

SMILES CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)NC(C)(C)C)N(C)CC3=CC=C(C=C3)C(C)(C)C

Computed descriptors from PubChem (CID 9916734), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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