EWB

[(1S)-1-{[(2-benzylphenyl)carbonyl]amino}ethyl](trihydroxy)borate(1-)

Created:	2010-07-07
Last modified:	2024-09-27

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

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Chemical Details
Formal Charge	-1
Atom Count	41
Chiral Atom Count	1
Bond Count	42
Aromatic Bond Count	12

2D diagram of EWB

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Chemical Component Summary
Name	[(1S)-1-{[(2-benzylphenyl)carbonyl]amino}ethyl](trihydroxy)borate(1-)
Systematic Name (OpenEye OEToolkits)	trihydroxy-[(1S)-1-[[2-(phenylmethyl)phenyl]carbonylamino]ethyl]boron
Formula	C₁₆ H₁₉ B N O₄
Molecular Weight	300.137
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(c1ccccc1Cc2ccccc2)NC([B-](O)(O)O)C
SMILES	CACTVS	3.352	C[CH](NC(=O)c1ccccc1Cc2ccccc2)[B-](O)(O)O
SMILES	OpenEye OEToolkits	1.6.1	[B-](C(C)NC(=O)c1ccccc1Cc2ccccc2)(O)(O)O
Canonical SMILES	CACTVS	3.352	C[C@@H](NC(=O)c1ccccc1Cc2ccccc2)[B-](O)(O)O
Canonical SMILES	OpenEye OEToolkits	1.6.1	[B-]([C@@H](C)NC(=O)c1ccccc1Cc2ccccc2)(O)(O)O
InChI	InChI	1.03	InChI=1S/C16H19BNO4/c1-12(17(20,21)22)18-16(19)15-10-6-5-9-14(15)11-13-7-3-2-4-8-13/h2-10,12,20-22H,11H2,1H3,(H,18,19)/q-1/t12-/m1/s1
InChIKey	InChI	1.03	KXUAFLYMMJHXHZ-GFCCVEGCSA-N

Related Resource References

Resource Name	Reference
PubChem	49843458

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