2,4,5-Trichlorophenyl 3-phenyl-N-((phenylmethoxy)carbonyl)-L-alaninate

HCID 97253

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Basic information

CAS: 3065-27-8
Standard SMILES: O=C(N[C@@H](Cc1ccccc1)C(=O)Oc1cc(Cl)c(Cl)cc1Cl)OCc1ccccc1
InChIKey: DQUNNSOIEICROK-FQEVSTJZSA-N
Molecular formula: C23H18Cl3NO4
Average molar mass: 478.7 g/mol
Monoisotopic mass: 477.030141

Names & identifiers

Preferred name: 2,4,5-Trichlorophenyl 3-phenyl-N-((phenylmethoxy)carbonyl)-L-alaninate
IUPAC: (2,4,5-trichlorophenyl) (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate

Names & synonyms

3065-27-82,4,5-trichlorophenyl n-[(benzyloxy)carbonyl]-l-phenylalaninateSCHEMBL11822319DTXSID101144931EINECS 221-314-62,4,5-Trichlorophenyl 3-phenyl-N-((phenylmethoxy)carbonyl)-L-alaninateNSC 108699NS00046336N-benzyloxycarbonyl-L-phenylalanine 2,4,5-trichlorophenyl esterL-Phenylalanine, N-[(phenylmethoxy)carbonyl]-, 2,4,5-trichlorophenyl ester

Database identifiers

CAS: 3065-27-8
PubChem CID: 97253
DTXSID: DTXSID101144931
EC Number: 221-314-6
Nikkaji: J80.630G

Properties

Computed structural properties

XLogP: 6.8
Topological polar surface area: 64.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 9
Heavy atoms: 31
Formal charge: 0
Complexity: 581

Related reactions

1 records

New reaction record

HRID 1283778As productuspto-grants-1976_08

Compound notes

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