Basic information
- CAS
162539-80-2- Standard SMILES
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccc(OCCO)cc1)NC(=O)OC(C)(C)C- InChIKey
IAXLWGCXGGUUOU-YVHASNINSA-N- Molecular formula
- C32H49N3O8
- Average molar mass
- 603.7 g/mol
- Monoisotopic mass
- 603.35196553
Names & identifiers
- Preferred name
- 12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-3-((4-(2-hydroxyethoxy)phenyl)methyl)-13,13-dimethyl-11-oxo-9-(phenylmethyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-
- IUPAC
- tert-butyl N-[(2S,3R)-3-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-4-[[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]amino]butan-2-yl]carbamate
Names & synonyms
162539-80-212-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-3-((4-(2-hydroxyethoxy)phenyl)methyl)-13,13-dimethyl-11-oxo-9-(phenylmethyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-DTXSID50167394(1S-(1R,2S(2S,3R)))-(3-((3-(((1,1-Dimethylethoxy)-carbonyl)amino)-2-hydroxy-4-(4-(2-hydroxyethoxy)phenyl)butyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)carbamic Acid, 1,1-Dimethylethyl ester12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-3-[[4-(2-hydroxyethoxy)phenyl]methyl]-13,13-dimethyl-11-oxo-9-(phenylmethyl)-, 1,1-dimethylethyl ester, [3S-(3R*,4S*,8S*,9R*)]-RefChem:236427DTXCID7089885[1S-[1R*,2S*(2S*,3R*)]]-[3-[[3-[[(1,1-Dimethylethoxy)-carbonyl]amino]-2-hydroxy-4-[4-(2-hydroxyethoxy)phenyl]butyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamic Acid, 1,1-Dimethylethyl esterBDBM674CHEMBL61188tert-Butyl [(2S,3R)-4-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-[4-(2-hydroxyethoxy)phenyl]butyl}amino)-3-hydroxy-1-phenylbutan-2-yl]carbamatetert-butyl N-[(1S,2R)-1-benzyl-3-[[(2R,3S)-3-(tert-butoxycarbonylamino)-2-hydroxy-4-[4-(2-hydroxyethoxy)phenyl]butyl]amino]-2-hydroxy-propyl]carbamate
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 159 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 19
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 801
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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