Basic information
- Standard SMILES
CCOC(=O)C1CCCN(C(=O)N2CCC(Nc3ccc(CCNC[C@H](O)c4ccc(O)c(NS(C)(=O)=O)c4)cc3)CC2)C1- InChIKey
MZZBCOILWVNEKS-PEFOLFAWSA-N- Molecular formula
- C31H45N5O7S
- Average molar mass
- 631.8 g/mol
- Monoisotopic mass
- 631.30396997
Names & identifiers
- Preferred name
- 1-[[4-[[4-[2-[[(2R)-2-Hydroxy-2-[4-hydroxy-3-[(methylsulfonyl)amino]phenyl]ethyl]amino]ethyl]phenyl]amino]-1-piperidinyl]carbonyl]-3-piperidine Carboxylic Acid, Ethyl Ester
- IUPAC
- ethyl 1-[4-[4-[2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]ethyl]anilino]piperidine-1-carbonyl]piperidine-3-carboxylate
Names & synonyms
MZZBCOILWVNEKS-PEFOLFAWSA-N1-[[4-[[4-[2-[[(2R)-2-Hydroxy-2-[4-hydroxy-3-[(methylsulfonyl)amino]phenyl]ethyl]amino]ethyl]phenyl]amino]-1-piperidinyl]carbonyl]-3-piperidine Carboxylic Acid, Ethyl Ester
Database identifiers
- PubChem CID
- 86584585
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 169 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 13
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,010
Related reactions
2 records
Compound notes
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