Basic information
- CAS
162540-08-1- Standard SMILES
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccc(OCc2nc3ccccc3o2)cc1)NC(=O)OC(C)(C)C- InChIKey
WNDVEZVRDLTINH-GASGPIRDSA-N- Molecular formula
- C38H50N4O8
- Average molar mass
- 690.8 g/mol
- Monoisotopic mass
- 690.36286457
Names & identifiers
- Preferred name
- 12-Oxa-2,6,10-triazatetradecanoic acid, 3-((4-(2-benzoxazolylmethoxy)phenyl)methyl)-4,8-dihydroxy-13,13-dimethyl-11-oxo-9-(phenylmethyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-
- IUPAC
- tert-butyl N-[(2S,3R)-1-[4-(1,3-benzoxazol-2-ylmethoxy)phenyl]-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]amino]butan-2-yl]carbamate
Names & synonyms
162540-08-112-Oxa-2,6,10-triazatetradecanoic acid, 3-((4-(2-benzoxazolylmethoxy)phenyl)methyl)-4,8-dihydroxy-13,13-dimethyl-11-oxo-9-(phenylmethyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-DTXSID70167396(1S-(1R,2S(2S,3R)))-(3-((4-(4-((2-Benzoxazolyl)methoxyphenyl)-3-(((1,1-dimethylethoxy)carbonyl)amino)-2-hydroxybutyl)amino-2-hydroxy-1-(phenylmethyl)-propyl)carbamic acid,1,1-dimethylehtyl ester12-Oxa-2,6,10-triazatetradecanoic acid, 3-[[4-(2-benzoxazolylmethoxy)phenyl]methyl]-4,8-dihydroxy-13,13-dimethyl-11-oxo-9-(phenylmethyl)-, 1,1-dimethylethyl ester, [3S-(3R*,4S*,8S*,9R*)]-RefChem:236411DTXCID7089887BDBM690CHEMBL413271[1S-[1R*,2S*(2S*,3R*)]]-[3-[[4-[4-[(2-Benzoxazolyl)methoxyphenyl]-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxybutyl]amino-2-hydroxy-1-(phenylmethyl)-propyl]carbamic acid,1,1-dimethylehtyl estertert-Butyl [(2S,3R)-4-({(2R,3S)-4-{4-[(1,3-benzoxazol-2-yl)methoxy]phenyl}-3-[(tert-butoxycarbonyl)amino]-2-hydroxybutyl}amino)-3-hydroxy-1-phenylbutan-2-yl]carbamatetert-butyl N-[(1S,2R)-3-[[(2R,3S)-4-[4-(1,3-benzoxazol-2-ylmethoxy)phenyl]-3-(tert-butoxycarbonylamino)-2-hydroxy-butyl]amino]-1-benzyl-2-hydroxy-propyl]carbamate
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 164 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 19
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,020
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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