Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L93PEM
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| Ligand Name |
(2~{S})-6-[2-(2-hydroxyethylsulfanyl)ethanoylamino]-2-[2-[2-[2-[[(4~{R})-5-oxidanyl-5-oxidanylidene-4-[[(4~{S})-5-oxidanyl-5-oxidanylidene-4-[2-[2-[2-[4-[16-(2~{H}-1,2,3,4-tetrazol-5-yl)hexadecanoylsulfamoyl]butanoylamino]ethoxy]ethoxy]ethanoylamino]pentanoyl]amino]pentanoyl]amino]ethoxy]ethoxy]ethanoylamino]hexanoic acid
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| Synonyms |
(2~{S})-6-[2-(2-hydroxyethylsulfanyl)ethanoylamino]-2-[2-[2-[2-[[(4~{R})-5-oxidanyl-5-oxidanylidene-4-[[(4~{S})-5-oxidanyl-5-oxidanylidene-4-[2-[2-[2-[4-[16-(2~{H}-1,2,3,4-tetrazol-5-yl)hexadecanoylsulfamoyl]butanoylamino]ethoxy]ethoxy]ethanoylamino]pentanoyl]amino]pentanoyl]amino]ethoxy]ethoxy]ethanoylamino]hexanoic acid; HDW
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| Structure |
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Download2D MOL
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| Formula |
C53H93N11O20S2
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| Canonical SMILES |
C(CCCCCCCC1=NNN=N1)CCCCCCCC(=O)NS(=O)(=O)CCCC(=O)NCCOCCOCC(=O)NC(CCC(=O)NC(CCC(=O)NCCOCCOCC(=O)NC(CCCCNC(=O)CSCCO)C(=O)O)C(=O)O)C(=O)O
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| InChI |
1S/C53H93N11O20S2/c65-28-35-85-39-50(72)54-25-15-14-17-40(51(73)74)58-48(70)37-83-33-32-82-30-27-56-45(67)23-21-41(52(75)76)57-46(68)24-22-42(53(77)78)59-49(71)38-84-34-31-81-29-26-55-44(66)20-16-36-86(79,80)62-47(69)19-13-11-9-7-5-3-1-2-4-6-8-10-12-18-43-60-63-64-61-43/h40-42,65H,1-39H2,(H,54,72)(H,55,66)(H,56,67)(H,57,68)(H,58,70)(H,59,71)(H,62,69)(H,73,74)(H,75,76)(H,77,78)(H,60,61,63,64)/t40-,41+,42-/m0/s1
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| InChIKey |
ZNHGNAMZXIGHTQ-ZMWLRIRSSA-N
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| PubChem Compound ID | ||||
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