2-(t-Butyloxycarbonyl)amino-4S-hydroxy-5S-(benzyloxycarbonyl)amino-1,6-diphenyl-2-azahexane
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Basic information
- CAS
150767-06-9- Standard SMILES
CC(C)(C)OC(=O)NN(Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1- InChIKey
QJNMCBADOQXQMJ-SVBPBHIXSA-N- Molecular formula
- C30H37N3O5
- Average molar mass
- 519.6 g/mol
- Monoisotopic mass
- 519.27332128
Names & identifiers
- Preferred name
- 2-(t-Butyloxycarbonyl)amino-4S-hydroxy-5S-(benzyloxycarbonyl)amino-1,6-diphenyl-2-azahexane
- IUPAC
- tert-butyl N-[benzyl-[(2S,3S)-2-hydroxy-4-phenyl-3-(phenylmethoxycarbonylamino)butyl]amino]carbamate
- English name
- 2-(t-Butyloxycarbonyl)amino-4S-hydroxy-5S-(benzyloxycarbonyl)amino-1,6 -diphenyl-2-azahexane
- Molecular formula
- C30H37N3O5
- Molecular weight
- 519.63
Names & synonyms
150767-06-92-(t-Butyloxycarbonyl)amino-4S-hydroxy-5S-(benzyloxycarbonyl)amino-1,6-diphenyl-2-azahexaneQJNMCBADOQXQMJ-SVBPBHIXSA-Ntert-butyl N-[benzyl-[(2S,3S)-2-hydroxy-4-phenyl-3-(phenylmethoxycarbonylamino)butyl]amino]carbamateSCHEMBL6443922DTXSID301646092-(t-Butyloxycarbonyl)amino-4S-hydroxy-5S-(benzyloxycarbonyl)amino-1,6 -diphenyl-2-azahexane1-[2(S)-Hydroxy-3(S)-(benzyloxycarbonylamino)-4-phenyl-butyl]-1-[phenylmethyl]-2-[tert-butoxycarbonyl]-hydrazinebenzyl N-[(1S,2S)-1-benzyl-3-[benzyl-(tert-butoxycarbonylamino)amino]-2-hydroxy-propyl]carbamatetert-Butyl 2-benzyl-2-[(2S,3S)-3-{[(benzyloxy)carbonyl]amino}-2-hydroxy-4-phenylbutyl]hydrazine-1-carboxylateHydrazinecarboxylic acid, 2-[(2S,3S)-2-hydroxy-4-phenyl-3-[[(phenylmethoxy)carbonyl]amino]butyl]-2-(phenylmethyl)-, 1,1-dimethylethyl ester
Database identifiers
- CAS
150767-06-9- PubChem CID
- 464759
- DTXSID
DTXSID30164609
Properties
Computed structural propertiesFilling in
- XLogP
- 5.3
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 14
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 694
Physicochemical properties
- Melting point
- 142 · 142-143 °C
- Density
- 1.184 · 1.184±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.353 · 10.353±0.50(predicted)
Related reactions
1 records
Compound notes
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