Basic information
- Standard SMILES
O=C(NCCCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)OCc1ccccc1- InChIKey
KRULQRVJXQQPQH-UHFFFAOYSA-N- Molecular formula
- C29H30N2O6
- Average molar mass
- 502.6 g/mol
- Monoisotopic mass
- 502.21038668
Names & identifiers
- Preferred name
- 6-(benzyloxycarbonylamino)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
- IUPAC
- 2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(phenylmethoxycarbonylamino)hexanoic acid
Names & synonyms
SCHEMBL27142277SCHEMBL27142958KRULQRVJXQQPQH-UHFFFAOYSA-N6-(benzyloxycarbonylamino)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acidPD196724DB-040947DB-0568996-Aminohexanoic acid, N-benzyloxycarbonyl-2-[(9-fluorenyl)methoxycarbonyl)]6-Aminohexylic acid, N-benzyloxycarbonyl-2-[(5-fluorenyl)methoxycarbonyl(R)-1-(9H-fluoren-9-yl)-3,11-dioxo-13-phenyl-2,12-dioxa-4,10-diazatridecane-5-carboxylic acid
Database identifiers
- PubChem CID
- 601103
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 733
Related reactions
1 records
Compound notes
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