A1BEO

3-[(1R)-3-amino-1-hydroxypropyl]phenyl 2-ethylbutanoate

Created:	2024-10-31
Last modified:	2025-09-03

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1 entries where A1BEO is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	1
Bond Count	42
Aromatic Bond Count	6

2D diagram of A1BEO

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Chemical Component Summary
Name	3-[(1R)-3-amino-1-hydroxypropyl]phenyl 2-ethylbutanoate
Systematic Name (OpenEye OEToolkits)	[3-[(1~{R})-3-azanyl-1-oxidanyl-propyl]phenyl] 2-ethylbutanoate
Formula	C₁₅ H₂₃ N O₃
Molecular Weight	265.348
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	O=C(Oc1cc(ccc1)C(O)CCN)C(CC)CC
SMILES	CACTVS	3.385	CCC(CC)C(=O)Oc1cccc(c1)[CH](O)CCN
SMILES	OpenEye OEToolkits	3.1.0.0	CCC(CC)C(=O)Oc1cccc(c1)C(CCN)O
Canonical SMILES	CACTVS	3.385	CCC(CC)C(=O)Oc1cccc(c1)[C@H](O)CCN
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	CCC(CC)C(=O)Oc1cccc(c1)[C@@H](CCN)O
InChI	InChI	1.06	InChI=1S/C15H23NO3/c1-3-11(4-2)15(18)19-13-7-5-6-12(10-13)14(17)8-9-16/h5-7,10-11,14,17H,3-4,8-9,16H2,1-2H3
InChIKey	InChI	1.06	LERLIJBLOOAQOT-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	176514176

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