Basic information
- CAS
91776-42-0- Standard SMILES
COc1cc2c(c(O)c1CSC[C@H](NC(C)=O)C(=O)O)C(=O)C(C)=CC2=O- InChIKey
FDDCAZRCTMQKHP-LBPRGKRZSA-N- Molecular formula
- C18H19NO7S
- Average molar mass
- 393.4 g/mol
- Monoisotopic mass
- 393.08822312
Overview
Fibrostatin A is a N-acyl-L-amino acid.
Names & identifiers
- Preferred name
- Fibrostatin A
- IUPAC
- (2R)-2-acetamido-3-[(1-hydroxy-3-methoxy-7-methyl-5,8-dioxonaphthalen-2-yl)methylsulfanyl]propanoic acid
- English name
- N-Acetyl-S-[(5,8-dihydro-1-hydroxy-3-methoxy-7-methyl-5,8-dioxonaphthalen-2-yl)methyl]-L-cysteine
- Molecular formula
- C18H19NO7S
- Molecular weight
- 393.41
Names & synonyms
Fibrostatin ARefChem:1085367(2R)-2-acetamido-3-((1-hydroxy-3-methoxy-7-methyl-5,8-dioxonaphthalen-2-yl)methylsulfanyl)propanoic acid91776-42-0L-Cysteine, N-acetyl-S-((5,8-dihydro-1-hydroxy-3-methoxy-7-methyl-5,8-dioxo-2-naphthalenyl)methyl)-orb3024646SCHEMBL29392364DTXSID80238687CHEBI:221950HY-N14330TN10275(2R)-2-acetamido-3-[(1-hydroxy-3-methoxy-7-methyl-5,8-dioxonaphthalen-2-yl)methylsulanyl]propanoic acid
Show more names
P-2392AN-Acetyl-S-[(5,8-dihydro-1-hydroxy-3-methoxy-7-methyl-5,8-dioxonaphthalen-2-yl)methyl]-L-cysteineL-Cysteine, N-acetyl-S-[(5,8-dihydro-1-hydroxy-3-methoxy-7-methyl-5,8-dioxo-2-naphthalenyl)methyl]-
N-acetyl-S-[(1-hydroxy-3-methoxy-7-methyl-5,8-dioxo-5,8-dihydronaphthalen-2-yl)methyl]-L-cysteine
Database identifiers
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 662
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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