96401-78-4 Purity
96%
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Specification
The molecular formula is C21H19NO4.
The synonyms include Cbz-3-(1-naphthyl)-D-Ala and (R)-2-(((Benzyloxy)carbonyl)amino)-3-(naphthalen-1-yl)propanoic acid, among others.
The molecular weight is 349.4 g/mol.
The IUPAC name is (2R)-3-naphthalen-1-yl-2-(phenylmethoxycarbonylamino)propanoic acid.
The InChI is InChI=1S/C21H19NO4/c23-20(24)19(22-21(25)26-14-15-7-2-1-3-8-15)13-17-11-6-10-16-9-4-5-12-18(16)17/h1-12,19H,13-14H2,(H,22,25)(H,23,24)/t19-/m1/s1.
The InChIKey is HNYQEAGTPQSPLT-LJQANCHMSA-N.
The canonical SMILES is C1=CC=C(C=C1)COC(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)O.
The isomeric SMILES is C1=CC=C(C=C1)COC(=O)N[C@H](CC2=CC=CC3=CC=CC=C32)C(=O)O.
The XLogP3-AA value is 4.3.
It has 2 hydrogen bond donor counts.
Please kindly note that our products are for research use only.
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