Basic information
- Standard SMILES
CC(C)c1ncc(C(=O)N2CCOC3(CCN(CCOc4ccc(CN(C[C@H](O)c5ccc(O)c6[nH]c(=O)sc56)C(=O)OC(C)(C)C)cc4)CC3)C2)s1- InChIKey
LYESRYUTPNTQJY-LJAQVGFWSA-N- Molecular formula
- C38H49N5O8S2
- Average molar mass
- 768 g/mol
Names & identifiers
- Preferred name
- (R)-tert-Butyl 2-hydroxy-2-(4-hydroxy-2-oxo-2,3-dihydrobenzo[d]thiazol-7-yl)ethyl(4-(2-(4-(2-isopropylthiazole-5-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethoxy)benzyl)carbamate
- IUPAC
- tert-butyl N-[(2R)-2-hydroxy-2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]-N-[[4-[2-[4-(2-propan-2-yl-1,3-thiazole-5-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethoxy]phenyl]methyl]carbamate
Names & synonyms
SCHEMBL2140533LYESRYUTPNTQJY-LJAQVGFWSA-N(R)-tert-Butyl 2-hydroxy-2-(4-hydroxy-2-oxo-2,3-dihydrobenzo[d]thiazol-7-yl)ethyl(4-(2-(4-(2-isopropylthiazole-5-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethoxy)benzyl)carbamate
Database identifiers
- PubChem CID
- 57989239
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 208 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 13
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 1,260
Related reactions
2 records
Compound notes
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