Basic information
- Standard SMILES
CCOC(=O)N[C@H](C(=O)N(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(N)c1ccc(-c2cncs2)cc1)C(C)C- InChIKey
HLZFNLCHMQPUNF-VJLFCJSESA-N- Molecular formula
- C36H50N6O7S
- Average molar mass
- 710.9 g/mol
- Monoisotopic mass
- 710.34616913
Names & identifiers
- Preferred name
- 1-[4-(Thiazol-5-yl)-phenyl]-4(S)-hydroxy-2-N-(N-ethoxycarbonyl-(L)-valyl)-amino-5(S)-N-(N-methoxycarbonyl-(L)-tert-leucyl)amino-6-phenyl-2-azahexane
- IUPAC
- methyl N-[(2S)-1-[[(2S,3S)-4-[[amino-[4-(1,3-thiazol-5-yl)phenyl]methyl]-[(2S)-2-(ethoxycarbonylamino)-3-methylbutanoyl]amino]-3-hydroxy-1-phenylbutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
Names & synonyms
HLZFNLCHMQPUNF-VJLFCJSESA-N1-[4-(Thiazol-5-yl)-phenyl]-4(S)-hydroxy-2-N-(N-ethoxycarbonyl-(L)-valyl)-amino-5(S)-N-(N-methoxycarbonyl-(L)-tert-leucyl)amino-6-phenyl-2-azahexane
Database identifiers
- PubChem CID
- 86757487
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 213 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 18
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,090
Related reactions
1 records
Compound notes
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