N-[1-[(3-chloranyl-5-phenylmethoxy-phenyl)methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-methyl-boronamidic acid

Systemtic Name: N-[1-[(3-chloranyl-5-phenylmethoxy-phenyl)methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-methyl-boronamidic acid Openeye Name: N-[1-[(3-benzyloxy-5-chloro-phenyl)methylcarbamoyl]-3-methylsulfanyl-propyl]-methyl-boronamidic acid CAS Name: N-[1-[(3-chloro-5-phenylmethoxyphenyl)methylamino]-4-(methylthio)-1-oxobutan-2-yl]-methylboronamidic acid IUPAC Name: N-[1-[(3-chloro-5-phenylmethoxyphenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-methylboronamidic acid Traditional Name: N-[1-[(3-benzoxy-5-chloro-benzyl)carbamoyl]-3-(methylthio)propyl]-methyl-boronamidic acid Formula: C20H26BClN2O3S MolecularWeight: 420.76104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26BClN2O3S/c1-21(26)24-19(8-9-28-2)20(25)23-13-16-10-17(22)12-18(11-16)27-14-15-6-4-3-5-7-15/h3-7,10-12,19,24,26H,8-9,13-14H2,1-2H3,(H,23,25)