Nom: 4-(2-Methoxycarbonylamino-3-methyl-butyryl)-3-{4-[4-(4-{2-[1-(2-methoxycarbonylamino-3-methyl-butyryl)-pyrrolidin-2-yl]-3H-imidazol-4-yl}-phenylethynyl)-phenyl]-1H-imidazol-2-yl}-piperazine-1-carboxylic acid methyl ester
IUPAC: methyl 4-[2-(methoxycarbonylamino)-3-methylbutanoyl]-3-[5-[4-[2-[4-[2-[1-[2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]ethynyl]phenyl]-1H-imidazol-2-yl]piperazine-1-carboxylate
SMILES:
COC(=O)NC(C(=O)N1CCN(C(=O)OC)CC1c1nc(-c2ccc(C#Cc3ccc(-c4cnc(C5CCCN5C(=O)C(NC(=O)OC)C(C)C)[nH]4)cc3)cc2)c[nH]1)C(C)CCanonical SMILES:
CC(C)C(C(=O)N1CCCC1C2=NC=C(N2)C3=CC=C(C=C3)C#CC4=CC=C(C=C4)C5=CN=C(N5)C6CN(CCN6C(=O)C(C(C)C)NC(=O)OC)C(=O)OC)NC(=O)OCFormule moléculaire: C44H53N9O8
Masse molaire: 835.90
InChIKey: VRZUKQQXUPJWRG-UHFFFAOYSA-N
InChI:
PubChem CID: 66620838 →InChI=1S/C44H53N9O8/c1-26(2)36(49-42(56)59-5)40(54)52-20-8-9-34(52)38-45-23-32(47-38)30-16-12-28(13-17-30)10-11-29-14-18-31(19-15-29)33-24-46-39(48-33)35-25-51(44(58)61-7)21-22-53(35)41(55)37(27(3)4)50-43(57)60-6/h12-19,23-24,26-27,34-37H,8-9,20-22,25H2,1-7H3,(H,45,47)(H,46,48)(H,49,56)(H,50,57)Synonymes
SCHEMBL204948VRZUKQQXUPJWRG-UHFFFAOYSA-N4-(2-Methoxycarbonylamino-3-methyl-butyryl)-3-{4-[4-(4-{2-[1-(2-methoxycarbonylamino-3-methyl-butyryl)-pyrrolidin-2-yl]-3H-imidazol-4-yl}-phenylethynyl)-phenyl]-1H-imidazol-2-yl}-piperazine-1-carboxylic acid methyl ester
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