methyl-N-[4-methylsulfanyl-1-oxidanylidene-1-[(3-phenylmethoxyphenyl)methylamino]butan-2-yl]boronamidic acid

Systemtic Name: methyl-N-[4-methylsulfanyl-1-oxidanylidene-1-[(3-phenylmethoxyphenyl)methylamino]butan-2-yl]boronamidic acid Openeye Name: N-[1-[(3-benzyloxyphenyl)methylcarbamoyl]-3-methylsulfanyl-propyl]-methyl-boronamidic acid CAS Name: methyl-N-[4-(methylthio)-1-oxo-1-[(3-phenylmethoxyphenyl)methylamino]butan-2-yl]boronamidic acid IUPAC Name: methyl-N-[4-methylsulfanyl-1-oxo-1-[(3-phenylmethoxyphenyl)methylamino]butan-2-yl]boronamidic acid Traditional Name: N-[1-[(3-benzoxybenzyl)carbamoyl]-3-(methylthio)propyl]-methyl-boronamidic acid Formula: C20H27BN2O3S MolecularWeight: 386.31598

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Descriptors Computed from Structure

Canonical SMILES:

B(C)(NC(CCSC)C(=O)NCC1=CC(=CC=C1)OCC2=CC=CC=C2)O

Isomeric SMILES

B(C)(NC(CCSC)C(=O)NCC1=CC(=CC=C1)OCC2=CC=CC=C2)O

InChI

InChI=1S/C20H27BN2O3S/c1-21(25)23-19(11-12-27-2)20(24)22-14-17-9-6-10-18(13-17)26-15-16-7-4-3-5-8-16/h3-10,13,19,23,25H,11-12,14-15H2,1-2H3,(H,22,24)