Basic information
- Standard SMILES
CCN(C(=O)OC(C)(C)C)C1CCC(Oc2ncnc3sc4c(c23)[C@@H](CC(N)=O)CC4)CC1- InChIKey
VVCYPQJMOSZYPQ-QQFBHYJXSA-N- Molecular formula
- C24H34N4O4S
- Average molar mass
- 474.6 g/mol
Names & identifiers
- Preferred name
- tert-butyl N-(4-[[(3R)-3-(carbamoylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.0[2,6]]dodeca-1(8),2(6),9,11-tetraen-12-yl]oxy]cyclohexyl)-N-ethylcarbamate
- IUPAC
- tert-butyl N-[4-[[(3R)-3-(2-amino-2-oxoethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]oxy]cyclohexyl]-N-ethylcarbamate
Names & synonyms
SCHEMBL10343882SCHEMBL15112356VVCYPQJMOSZYPQ-QQFBHYJXSA-Ntert-butyl N-(4-[[(3R)-3-(carbamoylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.0[2,6]]dodeca-1(8),2(6),9,11-tetraen-12-yl]oxy]cyclohexyl)-N-ethylcarbamate
Database identifiers
- PubChem CID
- 68115477
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 709
Related reactions
2 records
Compound notes
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