[2-azanyl-2-[1-[(3S)-1-[4-[4-[4-[(3S)-2-[4-(1-azanyl-3-methyl-butyl)-1,2,3-triazol-1-yl]-3-methyl-pentanoyl]piperazin-1-yl]-6-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]piperazin-1-yl]-3-methyl-1-oxidanylidene-pentan-2-yl]-1,2,3-triazol-4-yl]ethyl] 2,2,2-tris(fluoranyl)ethanoate hydrochloride

Systemtic Name: [2-azanyl-2-[1-[(3S)-1-[4-[4-[4-[(3S)-2-[4-(1-azanyl-3-methyl-butyl)-1,2,3-triazol-1-yl]-3-methyl-pentanoyl]piperazin-1-yl]-6-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]piperazin-1-yl]-3-methyl-1-oxidanylidene-pentan-2-yl]-1,2,3-triazol-4-yl]ethyl] 2,2,2-tris(fluoranyl)ethanoate hydrochloride Openeye Name: [2-amino-2-[1-[(2S)-1-[4-[4-[4-[(3S)-2-[4-(1-amino-3-methyl-butyl)triazol-1-yl]-3-methyl-pentanoyl]piperazin-1-yl]-6-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]piperazine-1-carbonyl]-2-methyl-butyl]triazol-4-yl]ethyl] 2,2,2-trifluoroacetate hydrochloride CAS Name: 2,2,2-trifluoroacetic acid [2-amino-2-[1-[(3S)-1-[4-[4-[4-[(3S)-2-[4-(1-amino-3-methylbutyl)-1-triazolyl]-3-methyl-1-oxopentyl]-1-piperazinyl]-6-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]-1-piperazinyl]-3-methyl-1-oxopentan-2-yl]-4-triazolyl]ethyl] ester hydrochloride IUPAC Name: [2-amino-2-[1-[(3S)-1-[4-[4-[4-[(3S)-2-[4-(1-amino-3-methylbutyl)triazol-1-yl]-3-methylpentanoyl]piperazin-1-yl]-6-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]triazol-4-yl]ethyl] 2,2,2-trifluoroacetate hydrochloride Traditional Name: 2,2,2-trifluoroacetic acid [2-amino-2-[1-[(2S)-1-[4-[4-[4-[(3S)-2-[4-(1-amino-3-methyl-butyl)triazol-1-yl]-3-methyl-pentanoyl]piperazino]-6-[2-[2-(2-propargyloxyethoxy)ethoxy]ethylamino]-s-triazin-2-yl]piperazine-1-carbonyl]-2-methyl-butyl]triazol-4-yl]ethyl] ester hydrochloride Formula: C45H72ClF3N16O7 MolecularWeight: 1041.60439

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCN(CC1)C2=NC(=NC(=N2)NCCOCCOCCOCC#C)N3CCN(CC3)C(=O)C(C(C)CC)N4C=C(N=N4)C(COC(=O)C(F)(F)F)N)N5C=C(N=N5)C(CC(C)C)N.Cl

Isomeric SMILES

CC[C@H](C)C(C(=O)N1CCN(CC1)C2=NC(=NC(=N2)NCCOCCOCCOCC#C)N3CCN(CC3)C(=O)C([C@@H](C)CC)N4C=C(N=N4)C(COC(=O)C(F)(F)F)N)N5C=C(N=N5)C(CC(C)C)N.Cl

InChI

InChI=1S/C45H71F3N16O7.ClH/c1-8-20-68-22-24-70-25-23-69-21-11-51-42-52-43(61-16-12-59(13-17-61)39(65)37(31(6)9-2)63-27-35(55-57-63)33(49)26-30(4)5)54-44(53-42)62-18-14-60(15-19-62)40(66)38(32(7)10-3)64-28-36(56-58-64)34(50)29-71-41(67)45(46,47)48;/h1,27-28,30-34,37-38H,9-26,29,49-50H2,2-7H3,(H,51,52,53,54);1H/t31-,32-,33?,34?,37?,38?;/m0./s1