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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
Molecular Weight: 1720
PubChem CID:
49863538
Basic Description
Synonyms
CHEMBL2304327 | Q20817140
Action Type
DISRUPTING AGENT
Mechanism of action
Cell membrane disrupting agent
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Peptides
Direct Parent
Oligopeptides
Alternative Parents
Cyclic peptides Macrolactams N-acyl-alpha amino acids and derivatives Alpha amino acid amides N-acyl amines 1,3-aminoalcohols Alkanesulfonic acids Tertiary carboxylic acid amides Sulfonyls Organosulfonic acids Lactams Secondary carboxylic acid amides Secondary alcohols Dialkylamines Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Alpha-oligopeptide - Cyclic alpha peptide - N-acyl-alpha amino acid or derivatives - Macrolactam - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Fatty acyl - Fatty amide - N-acyl-amine - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Tertiary carboxylic acid amide - Alkanesulfonic acid - 1,3-aminoalcohol - Amino acid or derivatives - Carboxamide group - Lactam - Secondary carboxylic acid amide - Secondary alcohol - Organoheterocyclic compound - Secondary aliphatic amine - Azacycle - Secondary amine - Organic oxygen compound - Alcohol - Carbonyl group - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
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
InChIKey
RRDRHWJDBOGQHN-JWCTVYNTSA-N
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
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
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