[(1R)-1-azanyl-3-methyl-butyl]boronic acid; (2S)-2-azanyl-3-naphthalen-1-yl-propanoic acid

Systemtic Name: [(1R)-1-azanyl-3-methyl-butyl]boronic acid; (2S)-2-azanyl-3-naphthalen-1-yl-propanoic acid Openeye Name: [(1R)-1-amino-3-methyl-butyl]boronic acid; (2S)-2-amino-3-(1-naphthyl)propanoic acid CAS Name: [(1R)-1-amino-3-methylbutyl]boronic acid; (2S)-2-amino-3-(1-naphthalenyl)propanoic acid IUPAC Name: [(1R)-1-amino-3-methylbutyl]boronic acid; (2S)-2-amino-3-naphthalen-1-ylpropanoic acid Traditional Name: [(1R)-1-amino-3-methyl-butyl]boronic acid; (2S)-2-amino-3-(1-naphthyl)propionic acid Formula: C18H27BN2O4 MolecularWeight: 346.22898

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Descriptors Computed from Structure

Canonical SMILES:

B(C(CC(C)C)N)(O)O.C1=CC=C2C(=C1)C=CC=C2CC(C(=O)O)N

Isomeric SMILES

B([C@H](CC(C)C)N)(O)O.C1=CC=C2C(=C1)C=CC=C2C[C@@H](C(=O)O)N

InChI

InChI=1S/C13H13NO2.C5H14BNO2/c14-12(13(15)16)8-10-6-3-5-9-4-1-2-7-11(9)10;1-4(2)3-5(7)6(8)9/h1-7,12H,8,14H2,(H,15,16);4-5,8-9H,3,7H2,1-2H3/t12-;5-/m00/s1