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

Systemtic Name: [1-[[1-(2,4-dimethylcyclopentyl)-2-oxidanyl-pentan-3-yl]amino]-3-naphthalen-2-ylsulfanyl-1-oxidanylidene-propan-2-yl]carbamoylboron Openeye Name: [2-[[3-(2,4-dimethylcyclopentyl)-1-ethyl-2-hydroxy-propyl]amino]-1-(2-naphthylsulfanylmethyl)-2-oxo-ethyl]carbamoylboron CAS Name: [[[1-[[1-(2,4-dimethylcyclopentyl)-2-hydroxypentan-3-yl]amino]-3-(2-naphthalenylthio)-1-oxopropan-2-yl]amino]-oxomethyl]boron IUPAC Name: [1-[[1-(2,4-dimethylcyclopentyl)-2-hydroxypentan-3-yl]amino]-3-naphthalen-2-ylsulfanyl-1-oxopropan-2-yl]carbamoylboron Traditional Name: [2-[[3-(2,4-dimethylcyclopentyl)-1-ethyl-2-hydroxy-propyl]amino]-2-keto-1-[(2-naphthylthio)methyl]ethyl]carbamoylboron Formula: C26H35BN2O3S MolecularWeight: 466.4437

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Descriptors Computed from Structure

Canonical SMILES:

[B]C(=O)NC(CSC1=CC2=CC=CC=C2C=C1)C(=O)NC(CC)C(CC3CC(CC3C)C)O

Isomeric SMILES

[B]C(=O)NC(CSC1=CC2=CC=CC=C2C=C1)C(=O)NC(CC)C(CC3CC(CC3C)C)O

InChI

InChI=1S/C26H35BN2O3S/c1-4-22(24(30)14-20-12-16(2)11-17(20)3)28-25(31)23(29-26(27)32)15-33-21-10-9-18-7-5-6-8-19(18)13-21/h5-10,13,16-17,20,22-24,30H,4,11-12,14-15H2,1-3H3,(H,28,31)(H,29,32)