Basic information
- Standard SMILES
CC(C)(C)OC(=O)Nc1ccc(-c2ccccc2)nc1NC(=O)c1ccc(CNC(=O)OCc2ccccn2)cc1- InChIKey
QWNBUJHEGFPBCR-UHFFFAOYSA-N- Molecular formula
- C31H31N5O5
- Average molar mass
- 553.6 g/mol
- Monoisotopic mass
- 553.23251911
Names & identifiers
- Preferred name
- Pyridin-2-ylmethyl{4-[({3-[(tert-butoxycarbonyl)amino]-6-phenylpyridin-2-yl}amino)carbonyl]benzyl}carbamate
- IUPAC
- pyridin-2-ylmethyl N-[[4-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenyl-2-pyridinyl]carbamoyl]phenyl]methyl]carbamate
Names & synonyms
SCHEMBL3642860QWNBUJHEGFPBCR-UHFFFAOYSA-Npyridin-2-ylmethyl{4-[({3-[(tert -butoxycarbonyl)amino]-6-phenylpyridin-2-yl}amino)carbonyl]benzyl}carbamatePyridin-2-ylmethyl{4-[({3-[(tert-butoxycarbonyl)amino]-6-phenylpyridin-2-yl}amino)carbonyl]benzyl}carbamate
Database identifiers
- PubChem CID
- 59627872
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 850
Related reactions
2 records
Compound notes
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