ZMP

S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] tetradecanethioate

Created:	2008-09-19
Last modified:	2024-09-27

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34 entries where ZMP is found as a standalone ligand61 entries where ZMP is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	86
Chiral Atom Count	1
Bond Count	85
Aromatic Bond Count	0

2D diagram of ZMP

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Chemical Component Summary
Name	S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] tetradecanethioate
Systematic Name (OpenEye OEToolkits)	~{S}-[2-[3-[[(2~{S})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] tetradecanethioate
Formula	C₂₅ H₄₉ N₂ O₈ P S
Molecular Weight	568.704
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	OP(=O)(OCC(C(C(NCCC(=O)NCCSC(=O)CCCCCCCCCCCCC)=O)O)(C)C)O
SMILES	CACTVS	3.385	CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O
SMILES	OpenEye OEToolkits	2.0.5	CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O
Canonical SMILES	CACTVS	3.385	CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](O)C(C)(C)CO[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.5	CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O
InChI	InChI	1.03	InChI=1S/C25H49N2O8PS/c1-4-5-6-7-8-9-10-11-12-13-14-15-22(29)37-19-18-26-21(28)16-17-27-24(31)23(30)25(2,3)20-35-36(32,33)34/h23,30H,4-20H2,1-3H3,(H,26,28)(H,27,31)(H2,32,33,34)/t23-/m1/s1
InChIKey	InChI	1.03	HDTINWYIVVMRIN-HSZRJFAPSA-N

Related Resource References

Resource Name	Reference
PubChem	24941266

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