Basic information
- CAS
162539-58-4- Standard SMILES
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C- InChIKey
VERMKZUVUYNLHI-UYEZAFAQSA-N- Molecular formula
- C37H51N3O7
- Average molar mass
- 649.8 g/mol
- Monoisotopic mass
- 649.37270097
Names & identifiers
- Preferred name
- 12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-13,13-dimethyl-11-oxo-3-((4-(phenylmethoxy)phenyl)methyl)-9-(phenylmethyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-
- IUPAC
- tert-butyl N-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]amino]-1-(4-phenylmethoxyphenyl)butan-2-yl]carbamate
Names & synonyms
162539-58-412-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-13,13-dimethyl-11-oxo-3-((4-(phenylmethoxy)phenyl)methyl)-9-(phenylmethyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-DTXSID3016739212-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-13,13-dimethyl-11-oxo-3-[[4-(phenylmethoxy)phenyl]methyl]-9-(phenylmethyl)-, 1,1-dimethylethyl ester, [3S-(3R*,4S*,8S*,9R*)]-RefChem:236415DTXCID7089883BDBM687CHEMBL291802tert-Butyl [(2S,3R)-4-({(2R,3S)-4-[4-(benzyloxy)phenyl]-3-[(tert-butoxycarbonyl)amino]-2-hydroxybutyl}amino)-3-hydroxy-1-phenylbutan-2-yl]carbamatetert-butyl N-[(1S,2R)-1-benzyl-3-[[(2R,3S)-4-(4-benzyloxyphenyl)-3-(tert-butoxycarbonylamino)-2-hydroxy-butyl]amino]-2-hydroxy-propyl]carbamatetert-butyl N-[(2S,3R)-4-{[(2R,3S)-4-[4-(benzyloxy)phenyl]-3-{[(tert-butoxy)carbonyl]amino}-2-hydroxybutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
Database identifiers
- CAS
162539-58-4- PubChem CID
- 463293
- DTXSID
DTXSID30167392
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 19
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 901
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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