[1-[[(2S)-2-azanyl-3-methyl-butanoyl]-phenylmethoxycarbonyl-amino]-2-phenyl-ethyl]boronic acid

Systemtic Name: [1-[[(2S)-2-azanyl-3-methyl-butanoyl]-phenylmethoxycarbonyl-amino]-2-phenyl-ethyl]boronic acid Openeye Name: [1-[[(2S)-2-amino-3-methyl-butanoyl]-benzyloxycarbonyl-amino]-2-phenyl-ethyl]boronic acid CAS Name: [1-[[(2S)-2-amino-3-methyl-1-oxobutyl]-phenylmethoxycarbonylamino]-2-phenylethyl]boronic acid IUPAC Name: [1-[[(2S)-2-amino-3-methylbutanoyl]-phenylmethoxycarbonylamino]-2-phenylethyl]boronic acid Traditional Name: [1-[[(2S)-2-amino-3-methyl-butanoyl]-carbobenzoxy-amino]-2-phenyl-ethyl]boronic acid Formula: C21H27BN2O5 MolecularWeight: 398.26048

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Descriptors Computed from Structure

Canonical SMILES:

B(C(CC1=CC=CC=C1)N(C(=O)C(C(C)C)N)C(=O)OCC2=CC=CC=C2)(O)O

Isomeric SMILES

B(C(CC1=CC=CC=C1)N(C(=O)[C@H](C(C)C)N)C(=O)OCC2=CC=CC=C2)(O)O

InChI

InChI=1S/C21H27BN2O5/c1-15(2)19(23)20(25)24(21(26)29-14-17-11-7-4-8-12-17)18(22(27)28)13-16-9-5-3-6-10-16/h3-12,15,18-19,27-28H,13-14,23H2,1-2H3/t18?,19-/m0/s1