[N'-[3-[1-[(2S)-1-[4-[4-[4-[(2S)-2-[4-[3-[[azaniumyl(azanyl)methylidene]amino]propyl]-1,2,3-triazol-1-yl]propanoyl]piperazin-1-yl]-6-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]piperazin-1-yl]-1-oxidanylidene-propan-2-yl]-1,2,3-triazol-4-yl]propyl]carbamimidoyl]azanium chloride

Systemtic Name: [N'-[3-[1-[(2S)-1-[4-[4-[4-[(2S)-2-[4-[3-[[azaniumyl(azanyl)methylidene]amino]propyl]-1,2,3-triazol-1-yl]propanoyl]piperazin-1-yl]-6-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]piperazin-1-yl]-1-oxidanylidene-propan-2-yl]-1,2,3-triazol-4-yl]propyl]carbamimidoyl]azanium chloride Openeye Name: [N'-[3-[1-[(1S)-2-[4-[4-[4-[(2S)-2-[4-[3-[[amino(azaniumyl)methylene]amino]propyl]triazol-1-yl]propanoyl]piperazin-1-yl]-6-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]piperazin-1-yl]-1-methyl-2-oxo-ethyl]triazol-4-yl]propyl]carbamimidoyl]ammonium chloride CAS Name: [amino-[3-[1-[(2S)-1-[4-[4-[4-[(2S)-2-[4-[3-[[amino(ammonio)methylidene]amino]propyl]-1-triazolyl]-1-oxopropyl]-1-piperazinyl]-6-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]-1-piperazinyl]-1-oxopropan-2-yl]-4-triazolyl]propylimino]methyl]ammonium chloride IUPAC Name: [N'-[3-[1-[(2S)-1-[4-[4-[4-[(2S)-2-[4-[3-[[amino(azaniumyl)methylidene]amino]propyl]triazol-1-yl]propanoyl]piperazin-1-yl]-6-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]piperazin-1-yl]-1-oxopropan-2-yl]triazol-4-yl]propyl]carbamimidoyl]azanium chloride Traditional Name: [N'-[3-[1-[(1S)-2-[4-[4-[4-[(2S)-2-[4-[3-[[amino(ammonio)methylene]amino]propyl]triazol-1-yl]propanoyl]piperazino]-6-[2-[2-(2-propargyloxyethoxy)ethoxy]ethylamino]-s-triazin-2-yl]piperazino]-2-keto-1-methyl-ethyl]triazol-4-yl]propyl]amidino]ammonium chloride Formula: C38H64ClN20O5+ MolecularWeight: 916.49876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=NC(=NC(=N2)NCCOCCOCCOCC#C)N3CCN(CC3)C(=O)C(C)N4C=C(N=N4)CCCN=C([NH3+])N)N5C=C(N=N5)CCCN=C([NH3+])N.[Cl-]

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)C2=NC(=NC(=N2)NCCOCCOCCOCC#C)N3CCN(CC3)C(=O)[C@H](C)N4C=C(N=N4)CCCN=C([NH3+])N)N5C=C(N=N5)CCCN=C([NH3+])N.[Cl-]

InChI

InChI=1S/C38H62N20O5.ClH/c1-4-20-61-22-24-63-25-23-62-21-11-45-36-46-37(55-16-12-53(13-17-55)32(59)28(2)57-26-30(49-51-57)7-5-9-43-34(39)40)48-38(47-36)56-18-14-54(15-19-56)33(60)29(3)58-27-31(50-52-58)8-6-10-44-35(41)42;/h1,26-29H,5-25H2,2-3H3,(H4,39,40,43)(H4,41,42,44)(H,45,46,47,48);1H/p+1/t28-,29-;/m0./s1