E08

TRIHYDROXY-[(1S)-1-[(2-PROPAN-2-YLPHENYL)CARBONYLAMINO]ETHYL]BORON

Created:	2010-12-15
Last modified:	2024-09-27

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1 entries where E08 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	-1
Atom Count	37
Chiral Atom Count	1
Bond Count	37
Aromatic Bond Count	6

2D diagram of E08

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Chemical Component Summary
Name	TRIHYDROXY-[(1S)-1-[(2-PROPAN-2-YLPHENYL)CARBONYLAMINO]ETHYL]BORON
Systematic Name (OpenEye OEToolkits)	trihydroxy-[(1S)-1-[(2-propan-2-ylphenyl)carbonylamino]ethyl]boron
Formula	C₁₂ H₁₉ B N O₄
Molecular Weight	252.095
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.352	CC(C)c1ccccc1C(=O)N[CH](C)[B-](O)(O)O
SMILES	OpenEye OEToolkits	1.6.1	[B-](C(C)NC(=O)c1ccccc1C(C)C)(O)(O)O
Canonical SMILES	CACTVS	3.352	CC(C)c1ccccc1C(=O)N[C@H](C)[B-](O)(O)O
Canonical SMILES	OpenEye OEToolkits	1.6.1	[B-]([C@@H](C)NC(=O)c1ccccc1C(C)C)(O)(O)O
InChI	InChI	1.03	InChI=1S/C12H19BNO4/c1-8(2)10-6-4-5-7-11(10)12(15)14-9(3)13(16,17)18/h4-9,16-18H,1-3H3,(H,14,15)/q-1/t9-/m1/s1
InChIKey	InChI	1.03	CJMFKPWAEYBDEM-SECBINFHSA-N

Related Resource References

Resource Name	Reference
PubChem	53301830

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