BIX

(2S)-2-{[(S)-[(3S)-3-amino-3-carboxypropyl](hydroxy)phosphoryl]methyl}pentanedioic acid

Created:	2007-11-30
Last modified:	2024-09-27

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2 entries where BIX is found as a standalone ligand2 entries where BIX is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	3
Bond Count	37
Aromatic Bond Count	0

2D diagram of BIX

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Chemical Component Summary
Name	(2S)-2-{[(S)-[(3S)-3-amino-3-carboxypropyl](hydroxy)phosphoryl]methyl}pentanedioic acid
Systematic Name (OpenEye OEToolkits)	(2S)-2-[[[(3S)-3-amino-4-hydroxy-4-oxo-butyl]-hydroxy-phosphoryl]methyl]pentanedioic acid
Formula	C₁₀ H₁₈ N O₈ P
Molecular Weight	311.226
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)CCC(C(=O)O)CP(=O)(O)CCC(C(=O)O)N
SMILES	CACTVS	3.341	N[CH](CC[P](O)(=O)C[CH](CCC(O)=O)C(O)=O)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	C(CC(=O)O)C(CP(=O)(CCC(C(=O)O)N)O)C(=O)O
Canonical SMILES	CACTVS	3.341	N[C@@H](CC[P@@](O)(=O)C[C@@H](CCC(O)=O)C(O)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C(CC(=O)O)[C@H](C[P@](=O)(CC[C@@H](C(=O)O)N)O)C(=O)O
InChI	InChI	1.03	InChI=1S/C10H18NO8P/c11-7(10(16)17)3-4-20(18,19)5-6(9(14)15)1-2-8(12)13/h6-7H,1-5,11H2,(H,12,13)(H,14,15)(H,16,17)(H,18,19)/t6-,7+/m1/s1
InChIKey	InChI	1.03	YLHAQDFYEKJARV-RQJHMYQMSA-N

Related Resource References

Resource Name	Reference
PubChem	23640759

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