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Unk-N(MeSO3H)Dab(MeSO3H)-Unk-Dab(MeSO3H)-Dab(1)-Dab(MeSO3H)-D-Leu-Leu-Dab(MeSO3H)-D-Dab(MeSO3H)-Thr-(1) , Cell membrane disrupting agent, CAS No.49863538, Cell membrane disrupting agent
Basic Description
Synonyms | CHEMBL2304327 | Q20817140 |
Action Type | DISRUPTING AGENT |
Mechanism of action | Cell membrane disrupting agent |
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Associated Targets(non-human)
Names and Identifiers
IUPAC Name | [2-[(2S,5R,8S,11S,14R,17S,22S)-17-[(1R)-1-hydroxyethyl]-22-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-2-[6-methyloctanoyl(sulfomethyl)amino]-4-(sulfomethylamino)butanoyl]amino]butyl]amino]-4-(sulfomethylamino)butanoyl]amino]-5,8-bis(2-methylpropyl)-3,6,9,12,15 |
INCHI | InChI=1S/C59H114N16O30S6/c1-9-37(6)12-10-11-13-49(78)75(34-111(103,104)105)48(19-24-64-33-110(100,101)102)58(86)73-47(38(7)76)28-66-40(14-20-60-29-106(88,89)90)51(79)67-44-18-25-65-59(87)50(39(8)77)74-55(83)43(17-23-63-32-109(97,98)99)69-52(80)41(15-21-61 |
InChi Key | RRDRHWJDBOGQHN-JWCTVYNTSA-N |
Canonical SMILES | CCC(C)CCCCC(=O)N(CS(=O)(=O)O)C(CCNCS(=O)(=O)O)C(=O)NC(CNC(CCNCS(=O)(=O)O)C(=O)NC1CCNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCNCS(=O)(=O)O)CC(C)C)CC(C)C)CCNCS(=O)(=O)O)CCNCS(=O)(=O)O)C(C)O)C(C)O |
Isomeric SMILES | CCC(C)CCCCC(=O)N(CS(=O)(=O)O)[C@@H](CCNCS(=O)(=O)O)C(=O)N[C@@H](CN[C@@H](CCNCS(=O)(=O)O)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CCNCS(=O)(=O)O)CC(C)C)CC(C)C)CCNCS(=O)(=O)O)CCNCS(=O)(=O)O)[C@@H](C)O)[C@@H](C)O |
PubChem CID | 49863538 |
Molecular Weight | 1720 |
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