Basic information
- Standard SMILES
CC(C)(C)OC(=O)NC1(C(=O)NC(Cc2ccc(-c3ccc(OS(C)(=O)=O)cc3)cc2)C(N)=O)CCOCC1- InChIKey
XHGCXCMPNJHIGG-UHFFFAOYSA-N- Molecular formula
- C27H35N3O8S
- Average molar mass
- 561.6 g/mol
- Monoisotopic mass
- 561.21448626
Names & identifiers
- Preferred name
- [4-[4-[3-Amino-2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-4-carbonyl]amino]-3-oxopropyl]phenyl]phenyl] methanesulfonate
- IUPAC
- [4-[4-[3-amino-2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-4-carbonyl]amino]-3-oxopropyl]phenyl]phenyl] methanesulfonate
Names & synonyms
SCHEMBL290164
Database identifiers
- PubChem CID
- 72328352
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 172 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 952
Related reactions
2 records
Compound notes
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