Basic information
- CAS
91776-44-2- Standard SMILES
COc1cc2c(c(O)c1CSC[C@H](NC(C)=O)C(=O)O)C(=O)C(CO)=CC2=O- InChIKey
XMGJRXDFMZYRQG-LBPRGKRZSA-N- Molecular formula
- C18H19NO8S
- Average molar mass
- 409.4 g/mol
- Monoisotopic mass
- 409.08313774
Overview
Fibrostatin E is a N-acyl-L-amino acid.
Names & identifiers
- Preferred name
- Fibrostatin E
- IUPAC
- (2R)-2-acetamido-3-[[1-hydroxy-7-(hydroxymethyl)-3-methoxy-5,8-dioxonaphthalen-2-yl]methylsulfanyl]propanoic acid
- English name
- N-Acetyl-S-[[5,8-dihydro-1-hydroxy-7-(hydroxymethyl)-3-methoxy-5,8-dioxonaphthalen-2-yl]methyl]-L-cysteine
- Molecular weight
- 0
Names & synonyms
Fibrostatin ERefChem:1085370(2R)-2-acetamido-3-((1-hydroxy-7-(hydroxymethyl)-3-methoxy-5,8-dioxonaphthalen-2-yl)methylsulfanyl)propanoic acid91776-44-2L-Cysteine, N-acetyl-S-((5,8-dihydro-1-hydroxy-7-(hydroxymethyl)-3-methoxy-5,8-dioxo-2-naphthalenyl)methyl)-orb3023069DTXSID40238688CHEBI:221971HY-N14339TN9988(2R)-2-acetamido-3-[[1-hydroxy-7-(hydroxymethyl)-3-methoxy-5,8-dioxonaphthalen-2-yl]methylsulanyl]propanoic acidN-acetyl-S-{[1-hydroxy-7-(hydroxymethyl)-3-methoxy-5,8-dioxo-5,8-dihydronaphthalen-2-yl]methyl}-L-cysteine
Show more names
P-23924EN-Acetyl-S-[[5,8-dihydro-1-hydroxy-7-(hydroxymethyl)-3-methoxy-5,8-dioxonaphthalen-2-yl]methyl]-L-cysteine
Database identifiers
- CAS
91776-44-2- PubChem CID
- 56294
- DTXSID
DTXSID40238688- ChEBI
CHEBI:221971- Nikkaji
- J128.639K
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 176 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 678
Chemistry & industry
Suppliers1 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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