Basic information
- Standard SMILES
CC(C)(C)OC(=O)NN(Cc1ccc(-c2nnn(C(C)(C)c3ccccc3)n2)cc1)C[C@H](O)[C@@H](N)Cc1ccccc1- InChIKey
VCHFPQGKTAKVTA-NSOVKSMOSA-N- Molecular formula
- C32H41N7O3
- Average molar mass
- 571.7 g/mol
Names & identifiers
- Preferred name
- 1-{4-[2-(1-Methyl-1-phenyl-ethyl)-2H-tetrazol-5-yl]-phenyl}-4(S)-hydroxy-2-(tert-butoxycarbonyl)amino-5(S)-amino-6-phenyl-2-azahexane
- IUPAC
- tert-butyl N-[[(2S,3S)-3-amino-2-hydroxy-4-phenylbutyl]-[[4-[2-(2-phenylpropan-2-yl)tetrazol-5-yl]phenyl]methyl]amino]carbamate
Names & synonyms
SCHEMBL6156278VCHFPQGKTAKVTA-NSOVKSMOSA-N1-{4-[2-(1-methyl -1-phenyl-ethyl)-2H-tetrazol-5-yl]-phenyl}-4(S)-hydroxy-2-(tert-butoxycarbonyl)amino-5(S)-amino-6-phenyl-2-azahexane1-{4-[2-(1-Methyl-1-phenyl-ethyl)-2H-tetrazol-5-yl]-phenyl}-4(S)-hydroxy-2-(tert-butoxycarbonyl)amino-5(S)-amino-6-phenyl-2-azahexane
Database identifiers
- PubChem CID
- 22940451
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 13
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 817
Related reactions
8 records
Compound notes
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