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

Systemtic Name: [1-[[1-(2,4-dimethylcyclohexyl)-2-oxidanyl-pentan-3-yl]amino]-3-naphthalen-2-ylsulfanyl-1-oxidanylidene-propan-2-yl]carbamoylboron Openeye Name: [2-[[3-(2,4-dimethylcyclohexyl)-1-ethyl-2-hydroxy-propyl]amino]-1-(2-naphthylsulfanylmethyl)-2-oxo-ethyl]carbamoylboron CAS Name: [[[1-[[1-(2,4-dimethylcyclohexyl)-2-hydroxypentan-3-yl]amino]-3-(2-naphthalenylthio)-1-oxopropan-2-yl]amino]-oxomethyl]boron IUPAC Name: [1-[[1-(2,4-dimethylcyclohexyl)-2-hydroxypentan-3-yl]amino]-3-naphthalen-2-ylsulfanyl-1-oxopropan-2-yl]carbamoylboron Traditional Name: [2-[[3-(2,4-dimethylcyclohexyl)-1-ethyl-2-hydroxy-propyl]amino]-2-keto-1-[(2-naphthylthio)methyl]ethyl]carbamoylboron Formula: C27H37BN2O3S MolecularWeight: 480.47028

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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(CC3CCC(CC3C)C)O

Isomeric SMILES

[B]C(=O)NC(CSC1=CC2=CC=CC=C2C=C1)C(=O)NC(CC)C(CC3CCC(CC3C)C)O

InChI

InChI=1S/C27H37BN2O3S/c1-4-23(25(31)15-20-10-9-17(2)13-18(20)3)29-26(32)24(30-27(28)33)16-34-22-12-11-19-7-5-6-8-21(19)14-22/h5-8,11-12,14,17-18,20,23-25,31H,4,9-10,13,15-16H2,1-3H3,(H,29,32)(H,30,33)