NEP108

cas: 3031840-31-7 — see every product listed under this CAS number, including other names

NEP108 (CAS 3031840-31-7) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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Structural formula: {0} (CAS {1})

2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[2-[2-[[2-[4-[[2-(1H-indol-2-ylmethylamino)acetyl]amino]cyclohexyl]-3H-benzimidazol-5-yl]oxy]ethoxy]ethyl]acetamide (CAS 3031840-31-7) is a chemical compound with the molecular formula C47H51ClN10O4S and a molecular weight of 887.5 g/mol. IUPAC name: 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[2-[2-[[2-[4-[[2-(1H-indol-2-ylmethylamino)acetyl]amino]cyclohexyl]-3H-benzimidazol-5-yl]oxy]ethoxy]ethyl]acetamide. InChIKey: GGDKOCFPPROLJG-NVXLJEPTSA-N.

Identity
Molecular formulaC47H51ClN10O4S
Molecular weight887.5 g/mol
IUPAC name2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[2-[2-[[2-[4-[[2-(1H-indol-2-ylmethylamino)acetyl]amino]cyclohexyl]-3H-benzimidazol-5-yl]oxy]ethoxy]ethyl]acetamide
InChIKeyGGDKOCFPPROLJG-NVXLJEPTSA-N
SMILESCC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NCCOCCOC4=CC5=C(C=C4)N=C(N5)C6CCC(CC6)NC(=O)CNCC7=CC8=CC=CC=C8N7)C9=CC=C(C=C9)Cl)C

Computed by PubChem (NCBI)

Synonyms: orb3177182, YAX

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