Chem
J-GLOBAL ID：200907062005521683   Nikkaji number：J1.824.578G

MLN-4760

N-[(S)-1-カルボキシ-2-[1-(3,5-ジクロロベンジル)-1H-イミダゾール-5-イル]エチル]-L-ロイシン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C19H23Cl2N3O4
Molecular formula furigana： C19-H23-CL2-N3-O4
Molecular weight： 428.310
InChI： InChI=1S/C19H23Cl2N3O4/c1-11(2)3-16(18(25)26)23-17(19(27)28)7-15-8-22-10-24(15)9-12-4-13(20)6-14(21)5-12/h4-6,8,10-11,16-17,23H,3,7,9H2,1-2H3,(H,25,26)(H,27,28)/t16-,17-/m0/s1
InChI key： NTCCRGGIJNDEAB-IRXDYDNUSA-N
SMILES： CC(C)C[C@H](N[C@@H](Cc1cncn1Cc1cc(Cl)cc(Cl)c1)C(=O)O)C(=O)O
Systematic name  (4)：
  • N-[(S)-1-カルボキシ-2-[1-(3,5-ジクロロベンジル)-1H-イミダゾール-5-イル]エチル]-L-ロイシン
  • (S)-2-[[(S)-1-カルボキシ-2-[3-(3,5-ジクロロベンジル)-3H-イミダゾール-4-イル]エチル]アミノ]-4-メチルペンタン酸
  • (2S)-2-{[(1S)-1-カルボキシ-2-{1-[(3,5-ジクロロフェニル)メチル]-1H-イミダゾール-5-イル}エチル]アミノ}-4-メチルペンタン酸
  • (2S)-2-{[(1S)-1-carboxy-2-{1-[(3,5-dichlorophenyl)methyl]-1H-imidazol-5-yl}ethyl]amino}-4-methylpentanoic acid
Other name (3)：
  • N-[(S)-1-Carboxy-2-[1-(3,5-dichlorobenzyl)-1H-imidazole-5-yl]ethyl]-L-leucine
  • (S)-2-[[(S)-1-Carboxy-2-[3-(3,5-dichlorobenzyl)-3H-imidazole-4-yl]ethyl]amino]-4-methylpentanoic acid
  • MLN-4760
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