[1-[[1-(2,4-dimethylcyclopentyl)-2-oxidanyl-pentan-3-yl]amino]-1-oxidanylidene-3-quinolin-8-ylsulfanyl-propan-2-yl]carbamoylboron

Systemtic Name: [1-[[1-(2,4-dimethylcyclopentyl)-2-oxidanyl-pentan-3-yl]amino]-1-oxidanylidene-3-quinolin-8-ylsulfanyl-propan-2-yl]carbamoylboron Openeye Name: [2-[[3-(2,4-dimethylcyclopentyl)-1-ethyl-2-hydroxy-propyl]amino]-2-oxo-1-(8-quinolylsulfanylmethyl)ethyl]carbamoylboron CAS Name: [[[1-[[1-(2,4-dimethylcyclopentyl)-2-hydroxypentan-3-yl]amino]-1-oxo-3-(8-quinolinylthio)propan-2-yl]amino]-oxomethyl]boron IUPAC Name: [1-[[1-(2,4-dimethylcyclopentyl)-2-hydroxypentan-3-yl]amino]-1-oxo-3-quinolin-8-ylsulfanylpropan-2-yl]carbamoylboron Traditional Name: [2-[[3-(2,4-dimethylcyclopentyl)-1-ethyl-2-hydroxy-propyl]amino]-2-keto-1-[(8-quinolylthio)methyl]ethyl]carbamoylboron Formula: C25H34BN3O3S MolecularWeight: 467.43176

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Descriptors Computed from Structure

Canonical SMILES:

[B]C(=O)NC(CSC1=CC=CC2=C1N=CC=C2)C(=O)NC(CC)C(CC3CC(CC3C)C)O

Isomeric SMILES

[B]C(=O)NC(CSC1=CC=CC2=C1N=CC=C2)C(=O)NC(CC)C(CC3CC(CC3C)C)O

InChI

InChI=1S/C25H34BN3O3S/c1-4-19(21(30)13-18-12-15(2)11-16(18)3)28-24(31)20(29-25(26)32)14-33-22-9-5-7-17-8-6-10-27-23(17)22/h5-10,15-16,18-21,30H,4,11-14H2,1-3H3,(H,28,31)(H,29,32)