Basic information
- CAS
289665-92-5- Standard SMILES
CC(=O)NC(N)=NCCC[C@@H]1NC(=O)[C@H](CCCC(=O)O)NC(=O)[C@H](Cc2cnc[nH]2)N2C(=O)[C@H](C[C@H]2O)NC(=O)[C@H]2CCCN2C1=O- InChIKey
FOZYKTUSOWWQGR-KNPYFFGGSA-N- Molecular formula
- C29H42N10O9
- Average molar mass
- 674.7 g/mol
- Monoisotopic mass
- 674.31362296
Overview
argadin has been reported in Clonostachys, Excoecaria, and Sebastiania with data available.
Names & identifiers
- Preferred name
- Argadin
- IUPAC
- 4-[(1S,4R,10S,13S,16S,18R)-10-[3-[[acetamido(amino)methylidene]amino]propyl]-18-hydroxy-16-(1H-imidazol-5-ylmethyl)-3,9,12,15,20-pentaoxo-2,8,11,14,17-pentazatricyclo[15.2.1.04,8]icosan-13-yl]butanoic acid
- English name
- argadin
- Molecular formula
- C29H42N10O9
- Molecular weight
- 674.71
Names & synonyms
Argadin289665-92-5DTXSID403322964-[(1S,4R,10S,13S,16S,18R)-10-[3-[[acetamido(amino)methylidene]amino]propyl]-18-hydroxy-16-(1H-imidazol-5-ylmethyl)-3,9,12,15,20-pentaoxo-2,8,11,14,17-pentazatricyclo[15.2.1.04,8]icosan-13-yl]butanoic acid4-((1S,4R,10S,13S,16S,18R)-10-(3-((acetamido(amino)methylidene)amino)propyl)-18-hydroxy-16-(1H-imidazol-5-ylmethyl)-3,9,12,15,20-pentaoxo-2,8,11,14,17-pentazatricyclo(15.2.1.04,8)icosan-13-yl)butanoic acidRefChem:559930DTXCID30283389cyclo(N(omega)-acetyl-L-arginyl-D-prolyl-homoseryl-histidyl-L-2-aminoadipyl)CHEMBL445236FO 73141waw1w9u
Show more names
Cyclo[(αS)-α-[(3S,5R)-3-amino-5-hydroxy-2-oxo-1-pyrrolidinyl]-1H-imidazole-5-propanoyl-5-carboxy-L-norvalyl-N5-[(acetylamino)iminomethyl]-L-ornithyl-D-prolyl]
SCHEMBL141316orb1981189BDBM10854BDBM50089857DB04350NS00071705T76261Q654611
Properties
Computed structural properties
- XLogP
- -2.4
- Topological polar surface area
- 282 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 11
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,300
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- form
- Solid
- color
- White to off-white
Chemistry & industry
Applications
UsesArgadin is a cyclopentapeptide chitinase inhibitor. Argadin inhibits chitinase B (ChiB) with a Ki value of 20 nM. Argadin can be used for the research of fungicid and insecticid[1][2].
Suppliers8 total
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
Alabiotech Inc.001-619-354-5251 · [email protected]
Adachibio Inc.+81-8027837258 · [email protected]
大连阿拉宁生物技术有限公司0411-39042497 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
南昌探真生物技术有限公司13758194781 13173652190 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…