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Specification
The molecular formula of H-Cys(mmt)-oh is C23H23NO3S.
The molecular weight of H-Cys(mmt)-oh is 393.5 g/mol.
The IUPAC name of H-Cys(mmt)-oh is (2R)-2-amino-3-[(4-methoxyphenyl)-diphenylmethyl]sulfanylpropanoic acid.
The InChI of H-Cys(mmt)-oh is InChI=1S/C23H23NO3S/c1-27-20-14-12-19(13-15-20)23(17-8-4-2-5-9-17,18-10-6-3-7-11-18)28-16-21(24)22(25)26/h2-15,21H,16,24H2,1H3,(H,25,26)/t21-/m0/s1.
The InChIKey of H-Cys(mmt)-oh is QAINHNNAIDVCEZ-NRFANRHFSA-N.
The canonical SMILES of H-Cys(mmt)-oh is COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCC(C(=O)O)N.
The isomeric SMILES of H-Cys(mmt)-oh is COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)N.
The ChEMBL ID of H-Cys(mmt)-oh is CHEMBL392369.
The XLogP3-AA value of H-Cys(mmt)-oh is 1.9.
Yes, H-Cys(mmt)-oh is a canonicalized compound.