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이름: 2b

IUPAC: tert-butyl N-[2-[3-[[2-[(4-cyanoanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoylamino]ethyl]carbamate

SMILES: Cn1c(CNc2ccc(C#N)cc2)nc2cc(C(=O)N(CCC(=O)NCCNC(=O)OC(C)(C)C)c3ccccn3)ccc21

Canonical SMILES: CC(C)(C)OC(=O)NCCNC(=O)CCN(C1=CC=CC=N1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CNC4=CC=C(C=C4)C#N)C

분자식: C32H36N8O4

분자량: 596.70

InChIKey: CCJYVGFYXRXGIT-UHFFFAOYSA-N

InChI: InChI=1S/C32H36N8O4/c1-32(2,3)44-31(43)36-17-16-35-29(41)14-18-40(27-7-5-6-15-34-27)30(42)23-10-13-26-25(19-23)38-28(39(26)4)21-37-24-11-8-22(20-33)9-12-24/h5-13,15,19,37H,14,16-18,21H2,1-4H3,(H,35,41)(H,36,43)

PubChem CID: 66706334 →

동의어

SCHEMBL505863CCJYVGFYXRXGIT-UHFFFAOYSA-N{2-[3-({2-[(4-Cyano-phenylamino)-methyl]-1-methyl-1H-benzoimidazole-5-carbonyl}-pyridin-2-yl-amino)-propionylamino]-ethyl}-carbamic acid tert-butyl ester{2-[3-({2-[(4-Cyano-phenylamino)-methyl]-1-methyl-1H-benzoimidazole-5-carbonyl}-pyridin-2-yl-amino)-propionylamino]ethyl}-carbamic acid tert-butyl ester

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