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CHEBI:47056 - N-{[5-(1-benzofuran-2-yl)thiophen-2-yl]methyl}-N-[(2,4-dichlorophenyl)carbonyl]-L-phenylalanine

ChEBI IDCHEBI:47056
ChEBI NameN-{[5-(1-benzofuran-2-yl)thiophen-2-yl]methyl}-N-[(2,4-dichlorophenyl)carbonyl]-L-phenylalanine
Stars
ASCII NameN-{[5-(1-benzofuran-2-yl)thiophen-2-yl]methyl}-N-[(2,4-dichlorophenyl)carbonyl]-L-phenylalanine
Last Modified19 December 2014
DownloadsMolfile
FormulaC29H21Cl2NO4S
Net Charge0
Average Mass550.463
Monoisotopic Mass549.05683
SMILES[H]OC(=O)[C@@]([H])(N(C(=O)c1c([H])c([H])c(Cl)c([H])c1Cl)C([H])([H])c1sc(-c2oc3c([H])c([H])c([H])c([H])c3c2[H])c([H])c1[H])C([H])([H])c1c([H])c([H])c([H])c([H])c1[H]
InChIInChI=1S/C29H21Cl2NO4S/c30-20-10-12-22(23(31)16-20)28(33)32(24(29(34)35)14-18-6-2-1-3-7-18)17-21-11-13-27(37-21)26-15-19-8-4-5-9-25(19)36-26/h1-13,15-16,24H,14,17H2,(H,34,35)/t24-/m0/s1
InChIKeyYBULOUKTPCHXAL-DEOSSOPVSA-N
ChEBI Ontology
Outgoing Relation(s)
N-{[5-(1-benzofuran-2-yl)thiophen-2-yl]methyl}-N-[(2,4-dichlorophenyl)carbonyl]-L-phenylalanine (CHEBI:47056) is a L-phenylalanine derivative (CHEBI:84144)
N-{[5-(1-benzofuran-2-yl)thiophen-2-yl]methyl}-N-[(2,4-dichlorophenyl)carbonyl]-L-phenylalanine (CHEBI:47056) is a 1-benzofurans (CHEBI:38830)
N-{[5-(1-benzofuran-2-yl)thiophen-2-yl]methyl}-N-[(2,4-dichlorophenyl)carbonyl]-L-phenylalanine (CHEBI:47056) is a thiophenes (CHEBI:26961)
Synonyms  Source
N-{[5-(1-benzofuran-2-yl)thiophen-2-yl]methyl}-N-[(2,4-dichlorophenyl)carbonyl]-L-phenylalaninePDBeChem
(2S)-2-[(5-BENZOFURAN-2-YL-THIOPHEN-2-YLMETHYL)-(2,4-DICHLORO-BENZOYL)-AMINO]-3-PHENYL-PROPIONIC ACIDPDBeChem
Manual XrefsDatabases
154PDBeChem