[1-[[1-(2-ethanoyl-4-methyl-cyclohexyl)-2-oxidanyl-pentan-3-yl]amino]-3-naphthalen-2-ylsulfanyl-1-oxidanylidene-propan-2-yl]carbamoylboron

Systemtic Name: [1-[[1-(2-ethanoyl-4-methyl-cyclohexyl)-2-oxidanyl-pentan-3-yl]amino]-3-naphthalen-2-ylsulfanyl-1-oxidanylidene-propan-2-yl]carbamoylboron Openeye Name: [2-[[3-(2-acetyl-4-methyl-cyclohexyl)-1-ethyl-2-hydroxy-propyl]amino]-1-(2-naphthylsulfanylmethyl)-2-oxo-ethyl]carbamoylboron CAS Name: [[[1-[[1-(2-acetyl-4-methylcyclohexyl)-2-hydroxypentan-3-yl]amino]-3-(2-naphthalenylthio)-1-oxopropan-2-yl]amino]-oxomethyl]boron IUPAC Name: [1-[[1-(2-acetyl-4-methylcyclohexyl)-2-hydroxypentan-3-yl]amino]-3-naphthalen-2-ylsulfanyl-1-oxopropan-2-yl]carbamoylboron Traditional Name: [2-[[3-(2-acetyl-4-methyl-cyclohexyl)-1-ethyl-2-hydroxy-propyl]amino]-2-keto-1-[(2-naphthylthio)methyl]ethyl]carbamoylboron Formula: C28H37BN2O4S MolecularWeight: 508.48038

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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(=O)C)C)O

Isomeric SMILES

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

InChI

InChI=1S/C28H37BN2O4S/c1-4-24(26(33)15-21-10-9-17(2)13-23(21)18(3)32)30-27(34)25(31-28(29)35)16-36-22-12-11-19-7-5-6-8-20(19)14-22/h5-8,11-12,14,17,21,23-26,33H,4,9-10,13,15-16H2,1-3H3,(H,30,34)(H,31,35)