(2S)-2-[[4-(dihydroxyboranyl)phenyl]methyl-pentanoyl-amino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[[4-(dihydroxyboranyl)phenyl]methyl-pentanoyl-amino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[(4-boronophenyl)methyl-pentanoyl-amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[(4-boronophenyl)methyl-(1-oxopentyl)amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[(4-boronophenyl)methyl-pentanoylamino]-3-methylbutanoic acid Traditional Name: (2S)-2-[(4-boronobenzyl)-valeryl-amino]-3-methyl-butyric acid Formula: C17H26BNO5 MolecularWeight: 335.20304

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC=C(C=C1)CN(C(C(C)C)C(=O)O)C(=O)CCCC)(O)O

Isomeric SMILES

B(C1=CC=C(C=C1)CN([C@@H](C(C)C)C(=O)O)C(=O)CCCC)(O)O

InChI

InChI=1S/C17H26BNO5/c1-4-5-6-15(20)19(16(12(2)3)17(21)22)11-13-7-9-14(10-8-13)18(23)24/h7-10,12,16,23-24H,4-6,11H2,1-3H3,(H,21,22)/t16-/m0/s1