P2S

(2S)-2-AMINO-4-[[(2R)-2-CARBOXYBUTYL](PHOSPHONO)SULFONIMIDOYL]BUTANOIC ACID

Created:	2004-02-13
Last modified:	2021-03-01

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1 entries where P2S is found as a standalone ligand

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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 P2S

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Chemical Component Summary
Name	(2S)-2-AMINO-4-[[(2R)-2-CARBOXYBUTYL](PHOSPHONO)SULFONIMIDOYL]BUTANOIC ACID
Synonyms	N-PHOSPHORYL (2S)-2-AMINO-4-[(2S)-2-CARBOXYBUTYL-(R)-SULFONIMIDOYL]BUTANOIC ACID
Systematic Name (OpenEye OEToolkits)	(2S)-2-[[S-[(3S)-3-amino-4-hydroxy-4-oxo-butyl]-N-phosphono-sulfonimidoyl]methyl]butanoic acid
Formula	C₉ H₁₉ N₂ O₈ P S
Molecular Weight	346.295
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(N=S(=O)(CC(C(=O)O)CC)CCC(C(=O)O)N)(O)O
SMILES	CACTVS	3.341	CC[CH](C[S](=O)(CC[CH](N)C(O)=O)=N[P](O)(O)=O)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CCC(CS(=NP(=O)(O)O)(=O)CCC(C(=O)O)N)C(=O)O
Canonical SMILES	CACTVS	3.341	CC[C@H](C[S](=O)(CC[C@H](N)C(O)=O)=N[P](O)(O)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC[C@H](C[S@](=NP(=O)(O)O)(=O)CC[C@@H](C(=O)O)N)C(=O)O
InChI	InChI	1.03	InChI=1S/C9H19N2O8PS/c1-2-6(8(12)13)5-21(19,11-20(16,17)18)4-3-7(10)9(14)15/h6-7H,2-5,10H2,1H3,(H,12,13)(H,14,15)(H2,16,17,18)/t6-,7+,21-/m1/s1
InChIKey	InChI	1.03	LVBQTRQMXKDEFG-CRRUPIIHSA-N

Related Resource References

Resource Name	Reference
PubChem	24178103

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