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Chemical structure of Mca-PLAC(p-OMeBz)-WAR(Dpa)-NH2

GC44132

Mca-PLAC(p-OMeBz)-WAR(Dpa)-NH2

Also known as (2S)-N-[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(2,4-dinitroanilino)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-[(4-methoxyphenyl)methylsulfanyl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-[2-(7-methoxy-2-oxochromen-4-yl)acetyl]pyrrolidine-2-carboxamide

Mca-PLAC(p-OMeBz)-WAR(Dpa)-NH2 is a fluorogenic substrate for matrix metalloproteinase-14 (MMP-14)

ChemicalCAS1926163-82-7MW1403.5FormulaC66H82N16O17S
CAS number
1926163-82-7
Molecular weight
1403.5
Formula
C66H82N16O17S
Solubility
Formic Acid： 1 mg/ml
InChIKey
IJPWNCZOCVJSBA-GPTKDIKKSA-N
Catalogue number
GC44132
Brand
GLPBIO
Computed properties PubChem CID 137700210 · XLogP 3.6 · TPSA 521 Ų · H-bond donors 12
XLogP
3.6
TPSA
521 Ų
H-bond donors
12
H-bond acceptors
20
Rotatable bonds
34
Heavy atoms
100

SMILES C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C(=O)N)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CSCC4=CC=C(C=C4)OC)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]5CCCN5C(=O)CC6=CC(=O)OC7=C6C=CC(=C7)OC

Computed descriptors from PubChem (CID 137700210), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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