5BV

(2R,3R)-3-(glycyloxy)-2-methylnonanoic acid

Created:	2015-09-03
Last modified:	2024-09-27

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3 entries where 5BV is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	2
Bond Count	39
Aromatic Bond Count	0

2D diagram of 5BV

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Chemical Component Summary
Name	(2R,3R)-3-(glycyloxy)-2-methylnonanoic acid
Systematic Name (OpenEye OEToolkits)	(2R,3R)-3-(2-azanylethanoyloxy)-2-methyl-nonanoic acid
Formula	C₁₂ H₂₃ N O₄
Molecular Weight	245.315
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(OC(C(C)C(=O)O)CCCCCC)CN
SMILES	CACTVS	3.385	CCCCCC[CH](OC(=O)CN)[CH](C)C(O)=O
SMILES	OpenEye OEToolkits	1.9.2	CCCCCCC(C(C)C(=O)O)OC(=O)CN
Canonical SMILES	CACTVS	3.385	CCCCCC[C@@H](OC(=O)CN)[C@@H](C)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.9.2	CCCCCC[C@H]([C@@H](C)C(=O)O)OC(=O)CN
InChI	InChI	1.03	InChI=1S/C12H23NO4/c1-3-4-5-6-7-10(9(2)12(15)16)17-11(14)8-13/h9-10H,3-8,13H2,1-2H3,(H,15,16)/t9-,10-/m1/s1
InChIKey	InChI	1.03	UBRONVWKPIWEHT-NXEZZACHSA-N

Related Resource References

Resource Name	Reference
PubChem	137348331

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