(2S)-2-azanyl-4-methyl-pentanoic acid; dimethylboron; (2S)-2-isocyanato-3-naphthalen-1-yl-propanoic acid

Systemtic Name: (2S)-2-azanyl-4-methyl-pentanoic acid; dimethylboron; (2S)-2-isocyanato-3-naphthalen-1-yl-propanoic acid Openeye Name: (2S)-2-amino-4-methyl-pentanoic acid; dimethylboron; (2S)-2-isocyanato-3-(1-naphthyl)propanoic acid CAS Name: (2S)-2-amino-4-methylpentanoic acid; dimethylboron; (2S)-2-isocyanato-3-(1-naphthalenyl)propanoic acid IUPAC Name: (2S)-2-amino-4-methylpentanoic acid; dimethylboron; (2S)-2-isocyanato-3-naphthalen-1-ylpropanoic acid Traditional Name: (2S)-2-amino-4-methyl-valeric acid; dimethylboron; (2S)-2-isocyanato-3-(1-naphthyl)propionic acid Formula: C22H30BN2O5 MolecularWeight: 413.295

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11NO3.C6H13NO2.C2H6B/c16-9-15-13(14(17)18)8-11-6-3-5-10-4-1-2-7-12(10)11;1-4(2)3-5(7)6(8)9;1-3-2/h1-7,13H,8H2,(H,17,18);4-5H,3,7H2,1-2H3,(H,8,9);1-2H3/t13-;5-;/m00./s1