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Chemical structure of Ac-Pro-Leu-Gly-[(S)-2-mercapto-4-methyl-pentanoyl]-Leu-Gly-OEt

GA20644

Ac-Pro-Leu-Gly-[(S)-2-mercapto-4-methyl-pentanoyl]-Leu-Gly-OEt

Also known as ethyl 2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]acetyl]sulfanyl-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetate

The thiopeptolide Ac-Pro-Leu-Gly-psi[COS]Leu-Leu-Gly-OEt is used as substrate in a rapid, sensitive, continuous spectrophotometric assay for vertebrate collagenase, gelatinase A, and gelatinase B· Besides the mercaptan to be determined, cleavage yields Ac-PLG, H-6480

ChemicalCAS98992-65-5MW655.86FormulaC31H53N5O8S
CAS number
98992-65-5
Molecular weight
655.86
Formula
C31H53N5O8S
Solubility
Soluble in DMSO
InChIKey
OJIFMDRLHMGYGK-QORCZRPOSA-N
Catalogue number
GA20644
Brand
GLPBIO
Computed properties PubChem CID 10283137 · XLogP 3.5 · TPSA 205 Ų · H-bond donors 4
XLogP
3.5
TPSA
205 Ų
H-bond donors
4
H-bond acceptors
9
Rotatable bonds
20
Heavy atoms
45

SMILES CCOC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)SC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)C

Computed descriptors from PubChem (CID 10283137), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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