[2-azanyl-2-[1-[(3S)-1-[4-[4-[4-[(2S)-2-[4-[(2R)-1-azanyl-2-methyl-butyl]-1,2,3-triazol-1-yl]-3-(4-hydroxyphenyl)propanoyl]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-[(2S)-2-[4-[(2R)-1-azanyl-2-methyl-butyl]-1,2,3-triazol-1-yl]-3-(4-hydroxyphenyl)propanoyl]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-[(2S)-2-[4-[(2R)-1-amino-2-methyl-butyl]triazol-1-yl]-3-(4-hydroxyphenyl)propanoyl]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-[(2S)-2-[4-[(2R)-1-amino-2-methylbutyl]-1-triazolyl]-3-(4-hydroxyphenyl)-1-oxopropyl]-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-[(2S)-2-[4-[(2R)-1-amino-2-methylbutyl]triazol-1-yl]-3-(4-hydroxyphenyl)propanoyl]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-[(2S)-2-[4-[(2R)-1-amino-2-methyl-butyl]triazol-1-yl]-3-(4-hydroxyphenyl)propanoyl]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: C48H70ClF3N16O8 MolecularWeight: 1091.62001

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C1=CN(N=N1)C(CC2=CC=C(C=C2)O)C(=O)N3CCN(CC3)C4=NC(=NC(=N4)NCCOCCOCCOCC#C)N5CCN(CC5)C(=O)C(C(C)CC)N6C=C(N=N6)C(COC(=O)C(F)(F)F)N)N.Cl

Isomeric SMILES

CC[C@@H](C)C(C1=CN(N=N1)[C@@H](CC2=CC=C(C=C2)O)C(=O)N3CCN(CC3)C4=NC(=NC(=N4)NCCOCCOCCOCC#C)N5CCN(CC5)C(=O)C([C@@H](C)CC)N6C=C(N=N6)C(COC(=O)C(F)(F)F)N)N.Cl

InChI

InChI=1S/C48H69F3N16O8.ClH/c1-6-22-72-24-26-74-27-25-73-23-13-54-45-55-46(64-18-14-62(15-19-64)42(69)39(28-34-9-11-35(68)12-10-34)66-30-38(59-60-66)40(53)32(4)7-2)57-47(56-45)65-20-16-63(17-21-65)43(70)41(33(5)8-3)67-29-37(58-61-67)36(52)31-75-44(71)48(49,50)51;/h1,9-12,29-30,32-33,36,39-41,68H,7-8,13-28,31,52-53H2,2-5H3,(H,54,55,56,57);1H/t32-,33+,36?,39+,40?,41?;/m1./s1