N-[(2S)-1-[[(1R)-1-dimethylboranyl-3-methyl-butyl]amino]-1-oxidanylidene-4-phenyl-butan-2-yl]quinoline-2-carboxamide

Systemtic Name: N-[(2S)-1-[[(1R)-1-dimethylboranyl-3-methyl-butyl]amino]-1-oxidanylidene-4-phenyl-butan-2-yl]quinoline-2-carboxamide Openeye Name: N-[(1S)-1-[[(1R)-1-dimethylboranyl-3-methyl-butyl]carbamoyl]-3-phenyl-propyl]quinoline-2-carboxamide CAS Name: N-[(2S)-1-[[(1R)-1-dimethylboranyl-3-methylbutyl]amino]-1-oxo-4-phenylbutan-2-yl]-2-quinolinecarboxamide IUPAC Name: N-[(2S)-1-[[(1R)-1-dimethylboranyl-3-methylbutyl]amino]-1-oxo-4-phenylbutan-2-yl]quinoline-2-carboxamide Traditional Name: N-[(1S)-1-[[(1R)-1-dimethylboranyl-3-methyl-butyl]carbamoyl]-3-phenyl-propyl]quinaldamide Formula: C27H34BN3O2 MolecularWeight: 443.38876

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Descriptors Computed from Structure

Canonical SMILES:

B(C)(C)C(CC(C)C)NC(=O)C(CCC1=CC=CC=C1)NC(=O)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

B(C)(C)[C@H](CC(C)C)NC(=O)[C@H](CCC1=CC=CC=C1)NC(=O)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C27H34BN3O2/c1-19(2)18-25(28(3)4)31-27(33)24(16-14-20-10-6-5-7-11-20)30-26(32)23-17-15-21-12-8-9-13-22(21)29-23/h5-13,15,17,19,24-25H,14,16,18H2,1-4H3,(H,30,32)(H,31,33)/t24-,25-/m0/s1