1-(Cbz-leucinyl)-amino-3-(4-(3chloro-2-cyano-phenoxy)-phenyl sulfonamido)-propan-2-one

HCID 69612293

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

Related reactions

7 records

Compound notes

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