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

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

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Descriptors Computed from Structure

Canonical SMILES:

[B]C(=O)NC(CSC1=CC=CC2=CC=CC=C21)C(=O)NC(CC)C(CC3CCCCC3C)O

Isomeric SMILES

[B]C(=O)NC(CSC1=CC=CC2=CC=CC=C21)C(=O)NC(CC)C(CC3CCCCC3C)O

InChI

InChI=1S/C26H35BN2O3S/c1-3-21(23(30)15-19-11-5-4-9-17(19)2)28-25(31)22(29-26(27)32)16-33-24-14-8-12-18-10-6-7-13-20(18)24/h6-8,10,12-14,17,19,21-23,30H,3-5,9,11,15-16H2,1-2H3,(H,28,31)(H,29,32)