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이름: 1e

IUPAC: 3-(N-[2-[(4-cyanoanilino)methyl]-1-methylbenzimidazole-5-carbonyl]anilino)propanoic acid

SMILES: Cn1c(CNc2ccc(C#N)cc2)nc2cc(C(=O)N(CCC(=O)O)c3ccccc3)ccc21

Canonical SMILES: CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)O)C3=CC=CC=C3)N=C1CNC4=CC=C(C=C4)C#N

분자식: C26H23N5O3

분자량: 453.50

InChIKey: ZUZRSKTUQXZGNI-UHFFFAOYSA-N

InChI: InChI=1S/C26H23N5O3/c1-30-23-12-9-19(26(34)31(14-13-25(32)33)21-5-3-2-4-6-21)15-22(23)29-24(30)17-28-20-10-7-18(16-27)8-11-20/h2-12,15,28H,13-14,17H2,1H3,(H,32,33)

PubChem CID: 58069423 →

동의어

SCHEMBL505871ZUZRSKTUQXZGNI-UHFFFAOYSA-N3-({2-[(4-Cyano-phenylamino)-methyl]-1-methyl-1H-benzoimidazole-5-carbonyl}-phenyl-amino)-propionic acid

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