P3P

(2S)-2-AMINO-4-[METHYL(PHOSPHONOOXY)PHOSPHORYL]BUTANOIC ACID

Created:	2005-09-27
Last modified:	2021-03-01

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2 entries where P3P is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	2
Bond Count	27
Aromatic Bond Count	0

2D diagram of P3P

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Chemical Component Summary
Name	(2S)-2-AMINO-4-[METHYL(PHOSPHONOOXY)PHOSPHORYL]BUTANOIC ACID
Synonyms	PHOSPHINOTHRICIN PHOSPHATE
Systematic Name (OpenEye OEToolkits)	(2S)-2-amino-4-(methyl-phosphonooxy-phosphoryl)butanoic acid
Formula	C₅ H₁₃ N O₇ P₂
Molecular Weight	261.107
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(OP(=O)(O)O)(CCC(C(=O)O)N)C
SMILES	CACTVS	3.341	C[P](=O)(CC[CH](N)C(O)=O)O[P](O)(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CP(=O)(CCC(C(=O)O)N)OP(=O)(O)O
Canonical SMILES	CACTVS	3.341	C[P@](=O)(CC[C@H](N)C(O)=O)O[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[P@](=O)(CC[C@@H](C(=O)O)N)OP(=O)(O)O
InChI	InChI	1.03	InChI=1S/C5H13NO7P2/c1-14(9,13-15(10,11)12)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H2,10,11,12)/t4-,14+/m0/s1
InChIKey	InChI	1.03	UXRZHSKRCMUNIN-YZSVAWROSA-N

Related Resource References

Resource Name	Reference
PubChem	9543493

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