Basic information
- Standard SMILES
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)C(N)C(=O)CNS(=O)(=O)c1ccc(Oc2cccc(Cl)c2C#N)cc1- InChIKey
MVBBYHQLYRCGBR-ALLRNTDFSA-N- Molecular formula
- C30H31ClN4O7S
- Average molar mass
- 627.1 g/mol
Names & identifiers
- Preferred name
- 1-(Cbz-leucinyl)-amino-3-(4-(3chloro-2-cyano-phenoxy)-phenyl sulfonamido)-propan-2-one
- IUPAC
- benzyl N-[(4S)-6-amino-8-[[4-(3-chloro-2-cyanophenoxy)phenyl]sulfonylamino]-2-methyl-5,7-dioxooctan-4-yl]carbamate
Names & synonyms
SCHEMBL5935008MVBBYHQLYRCGBR-ALLRNTDFSA-N1-(Cbz-leucinyl)-amino-3-(4-(3-chloro-2-cyano-phenoxy)-phenyl sulfonamido)-propan-2-one1-(Cbz-leucinyl)-amino-3-(4-(3chloro-2-cyano-phenoxy)-phenyl sulfonamido)-propan-2-one
Database identifiers
- PubChem CID
- 69612293
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 186 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 15
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,090
Related reactions
7 records
Compound notes
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