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

GC92165

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

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;2,2,2-trifluoroacetic acid

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

ChemicalCAS2237216-67-8MW1517.5FormulaC66H82N16O17S•CF3COOH
CAS number
2237216-67-8
Molecular weight
1517.5
Formula
C66H82N16O17S•CF3COOH
Solubility
Formic Acid： 1 mg/ml
InChIKey
NRVVADXAKGBEJF-PTAHBCHCSA-N
Catalogue number
GC92165
Brand
GLPBIO
Computed properties PubChem CID 145707693 · TPSA 558 Ų · H-bond donors 13 · H-bond acceptors 25
TPSA
558 Ų
H-bond donors
13
H-bond acceptors
25
Rotatable bonds
34
Heavy atoms
107

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.C(=O)(C(F)(F)F)O

Computed descriptors from PubChem (CID 145707693), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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