Basic information
- CAS
91776-45-3- Standard SMILES
COC1=C(CO)C(=O)c2c(cc(OC)c(CSC[C@H](NC(C)=O)C(=O)O)c2O)C1=O- InChIKey
PGMKDNCWQLCJOK-LBPRGKRZSA-N- Molecular formula
- C19H21NO9S
- Average molar mass
- 439.4 g/mol
- Monoisotopic mass
- 439.09370242
Overview
Fibrostatin F is a N-acyl-L-amino acid.
Names & identifiers
- Preferred name
- Fibrostatin F
- IUPAC
- (2R)-2-acetamido-3-[[1-hydroxy-7-(hydroxymethyl)-3,6-dimethoxy-5,8-dioxonaphthalen-2-yl]methylsulfanyl]propanoic acid
- English name
- N-Acetyl-S-[[5,8-dihydro-1-hydroxy-7-(hydroxymethyl)-3,6-dimethoxy-5,8-dioxonaphthalen-2-yl]methyl]-L-cysteine
- Molecular formula
- C19H21NO9S
- Molecular weight
- 0
Names & synonyms
Fibrostatin F91776-45-3L-Cysteine, N-acetyl-S-((5,8-dihydro-3,6-dimethoxy-5,8-dioxo-1-hydroxy-7-(hydroxymethyl)-2-naphthalenyl)methyl)-DTXSID00238689(2R)-3-(((1-hydroxy-7-(hydroxymethyl)-3,6-dimethoxy-5,8-dioxo-5,8-dihydronaphthalen-2-yl)methyl)sulfanyl)-2-((1-hydroxyethylidene)amino)propanoate(2R)-3-(((1-hydroxy-7-(hydroxymethyl)-3,6-dimethoxy-5,8-dioxo-5,8-dihydronaphthalen-2-yl)methyl)sulphanyl)-2-((1-hydroxyethylidene)amino)propanoate(2R)-3-(((1-hydroxy-7-(hydroxymethyl)-3,6-dimethoxy-5,8-dioxo-5,8-dihydronaphthalen-2-yl)methyl)sulphanyl)-2-((1-hydroxyethylidene)amino)propanoic acid(2R)-3-({[1-hydroxy-7-(hydroxymethyl)-3,6-dimethoxy-5,8-dioxo-5,8-dihydronaphthalen-2-yl]methyl}sulfanyl)-2-[(1-hydroxyethylidene)amino]propanoate(2R)-3-({[1-hydroxy-7-(hydroxymethyl)-3,6-dimethoxy-5,8-dioxo-5,8-dihydronaphthalen-2-yl]methyl}sulphanyl)-2-[(1-hydroxyethylidene)amino]propanoate(2R)-3-({[1-hydroxy-7-(hydroxymethyl)-3,6-dimethoxy-5,8-dioxo-5,8-dihydronaphthalen-2-yl]methyl}sulphanyl)-2-[(1-hydroxyethylidene)amino]propanoic acidRefChem:140392
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 185 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 738
Chemistry & industry
Suppliers2 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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