Basic information
- Standard SMILES
COCCn1c(=O)sc2ccc(-c3ccc(C[C@H](NC(=O)C4(NC(=O)OC(C)(C)C)CCOCC4)C(N)=O)cc3)cc21- InChIKey
JVUUBTJKKZYCTD-QFIPXVFZSA-N- Molecular formula
- C30H38N4O7S
- Average molar mass
- 598.7 g/mol
- Monoisotopic mass
- 598.24612074
Names & identifiers
- Preferred name
- (S)-tert-Butyl 4-(1-amino-3-(4-(3-(2-methoxyethyl)-2-oxo-2,3-dihydrobenzo[d]thiazol-5-yl)phenyl)-1-oxopropan-2-ylcarbamoyl)tetrahydro-2H-pyran-4-ylcarbamate
- IUPAC
- tert-butyl N-[4-[[(2S)-1-amino-3-[4-[3-(2-methoxyethyl)-2-oxo-1,3-benzothiazol-5-yl]phenyl]-1-oxopropan-2-yl]carbamoyl]oxan-4-yl]carbamate
Names & synonyms
SCHEMBL7864262JVUUBTJKKZYCTD-QFIPXVFZSA-N(S)-tert-Butyl 4-(1-amino-3-(4-(3-(2-methoxyethyl)-2-oxo-2,3-dihydrobenzo[d]thiazol-5-yl)phenyl)-1-oxopropan-2-ylcarbamoyl)tetrahydro-2H-pyran-4-ylcarbamate
Database identifiers
- PubChem CID
- 59568593
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 175 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 975
Related reactions
2 records
Compound notes
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