SXH

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

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as a non-polymer is covalently linked to polymer or other heterogen groups 2 entries

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Chemical Component Summary
Name	S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] hexanethioate
Identifiers	S-[2-[3-[[(2S)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] hexanethioate
Formula	C₁₇ H₃₃ N₂ O₈ P S
Molecular Weight	456.491
Type	NON-POLYMER
Isomeric SMILES	CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O
InChI	InChI=1S/C17H33N2O8PS/c1-4-5-6-7-14(21)29-11-10-18-13(20)8-9-19-16(23)15(22)17(2,3)12-27-28(24,25)26/h15,22H,4-12H2,1-3H3,(H,18,20)(H,19,23)(H2,24,25,26)/t15-/m1/s1
InChIKey	KGMBPSVUBJAAEN-OAHLLOKOSA-N

Chemical Details
Formal Charge	0
Atom Count	62
Chiral Atom Count	1
Bond Count	61
Aromatic Bond Count	0

Drug Info: DrugBank

DrugBank ID	DB08585
Name	S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] hexanethioate
Groups	experimental
Synonyms	S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] hexanethioate

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Actinorhodin polyketide synthase acyl carrier protein	MATLLTTDDLRRALVECAGETDGTDLSGDFLDLRFEDIGYDSLALMETAA...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682