methyl 2-Acetamido-3-[2-[(2R)-2-[[3-(4-aminophenyl)benzoyl]amino]-4-benzyloxycarbonylbutoxy]-4-cyanophenyl]acrylate Trifluoroacetate

HCID 69142761
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)C(=Cc1ccc(C#N)cc1OC[C@@H](CCC(=O)OCc1ccccc1)NC(=O)c1cccc(-c2ccc(N)cc2)c1)NC(C)=O.O=C(O)C(F)(F)F
InChIKey
KNFCJLGQUXJSCC-MGDILKBHSA-N
Molecular formula
C40H37F3N4O9
Average molar mass
774.7 g/mol

Names & identifiers

Preferred name
methyl 2-Acetamido-3-[2-[(2R)-2-[[3-(4-aminophenyl)benzoyl]amino]-4-benzyloxycarbonylbutoxy]-4-cyanophenyl]acrylate Trifluoroacetate
IUPAC
benzyl (4R)-5-[2-(2-acetamido-3-methoxy-3-oxoprop-1-enyl)-5-cyanophenoxy]-4-[[3-(4-aminophenyl)benzoyl]amino]pentanoate;2,2,2-trifluoroacetic acid

Names & synonyms

methyl 2-Acetamido-3-[2-[(2R)-2-[[3-(4-aminophenyl)benzoyl]amino]-4-benzyloxycarbonylbutoxy]-4-cyanophenyl]acrylate TrifluoroacetateSCHEMBL4681491

Database identifiers

PubChem CID
69142761

Properties

Computed structural properties

Topological polar surface area
207 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
14
Rotatable bonds
16
Heavy atoms
56

Related reactions

1 records
New reaction record

Linked notes

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