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Chemical structure of Methoxycarbonyl-D-Nle-Gly-Arg-pNA

GA23196

Methoxycarbonyl-D-Nle-Gly-Arg-pNA

Also known as methyl N-[(2R)-1-[[2-[[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]carbamate

Substrate for coagulation factor Xa and, in the presence of 33% ethylenene glycol, IXa (Km = 3·62 mM, pH 7·4)

ChemicalCAS104186-68-7MW522.56FormulaC22H34N8O7
CAS number
104186-68-7
Molecular weight
522.56
Formula
C22H34N8O7
Solubility
Soluble in DMSO
InChIKey
XEXULFKIPLAHKX-SJORKVTESA-N
Catalogue number
GA23196
Brand
GLPBIO
Computed properties PubChem CID 13629219 · XLogP 0.4 · TPSA 236 Ų · H-bond donors 6
XLogP
0.4
TPSA
236 Ų
H-bond donors
6
H-bond acceptors
8
Rotatable bonds
15
Heavy atoms
37

SMILES CCCC[C@H](C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OC

Computed descriptors from PubChem (CID 13629219), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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