BO8

(D-ALPHA-AMINOPIMELYLAMINO)-D-1-ETHYLBORONIC ACID

Created:	2010-05-04
Last modified:	2024-09-27

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1 entries where BO8 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	-1
Atom Count	38
Chiral Atom Count	2
Bond Count	37
Aromatic Bond Count	0

2D diagram of BO8

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Chemical Component Summary
Name	(D-ALPHA-AMINOPIMELYLAMINO)-D-1-ETHYLBORONIC ACID
Systematic Name (OpenEye OEToolkits)	[(1S)-1-[[(6R)-6-amino-7-hydroxy-7-oxo-heptanoyl]amino]ethyl]-trihydroxy-boron
Formula	C₉ H₂₀ B N₂ O₆
Molecular Weight	263.076
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(NC(C)[B-](O)(O)O)CCCCC(C(=O)O)N
SMILES	CACTVS	3.352	C[CH](NC(=O)CCCC[CH](N)C(O)=O)[B-](O)(O)O
SMILES	OpenEye OEToolkits	1.6.1	[B-](C(C)NC(=O)CCCCC(C(=O)O)N)(O)(O)O
Canonical SMILES	CACTVS	3.352	C[C@@H](NC(=O)CCCC[C@@H](N)C(O)=O)[B-](O)(O)O
Canonical SMILES	OpenEye OEToolkits	1.6.1	[B-]([C@@H](C)NC(=O)CCCC[C@H](C(=O)O)N)(O)(O)O
InChI	InChI	1.03	InChI=1S/C9H20BN2O6/c1-6(10(16,17)18)12-8(13)5-3-2-4-7(11)9(14)15/h6-7,16-18H,2-5,11H2,1H3,(H,12,13)(H,14,15)/q-1/t6-,7-/m1/s1
InChIKey	InChI	1.03	ZSMKWHGOAVMEJJ-RNFRBKRXSA-N

Related Resource References

Resource Name	Reference
PubChem	46398804

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