5S-(Benzyloxycarbonyl)amino-2N-(N-(t-butyloxycarbonyl)amino)-4S-hydroxy-1-(4-hydroxyphenyl)-6-phenyl-2-azahexane
Basic information
- CAS
162739-43-7- Standard SMILES
CC(C)(C)OC(=O)NN(Cc1ccc(O)cc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1- InChIKey
NJYXGSUSSZIXAU-SVBPBHIXSA-N- Molecular formula
- C30H37N3O6
- Average molar mass
- 535.6 g/mol
- Monoisotopic mass
- 535.26823591
Names & identifiers
- Preferred name
- 5S-(Benzyloxycarbonyl)amino-2N-(N-(t-butyloxycarbonyl)amino)-4S-hydroxy-1-(4-hydroxyphenyl)-6-phenyl-2-azahexane
- IUPAC
- benzyl N-[(2S,3S)-3-hydroxy-4-[(4-hydroxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]-1-phenylbutan-2-yl]carbamate
Names & synonyms
162739-43-75S-(Benzyloxycarbonyl)amino-2N-(N-(t-butyloxycarbonyl)amino)-4S-hydroxy-1-(4-hydroxyphenyl)-6-phenyl-2-azahexaneSCHEMBL8331508DTXSID30167458benzyl N-[(1S,2S)-1-benzyl-3-[(tert-butoxycarbonylamino)-[(4-hydroxyphenyl)methyl]amino]-2-hydroxy-propyl]carbamatetert-Butyl 2-[(2S,3S)-3-{[(benzyloxy)carbonyl]amino}-2-hydroxy-4-phenylbutyl]-2-[(4-hydroxyphenyl)methyl]hydrazine-1-carboxylate
Database identifiers
- CAS
162739-43-7- PubChem CID
- 464767
- DTXSID
DTXSID30167458
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 14
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 725
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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