potassium (2E)-2-[(2E,4E)-5-[1-[6-[3-(2,2-dimethylpropanoylamino)propylamino]-6-oxidanylidene-hexyl]-3,3-dimethyl-5-sulfonato-indol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethyl-1-[6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]-6-oxidanylidene-hexyl]indole-5-sulfonate

Systemtic Name: potassium (2E)-2-[(2E,4E)-5-[1-[6-[3-(2,2-dimethylpropanoylamino)propylamino]-6-oxidanylidene-hexyl]-3,3-dimethyl-5-sulfonato-indol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethyl-1-[6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]-6-oxidanylidene-hexyl]indole-5-sulfonate Openeye Name: potassium (2E)-1-[6-[3-(tert-butoxycarbonylamino)propylamino]-6-oxo-hexyl]-2-[(2E,4E)-5-[1-[6-[3-(2,2-dimethylpropanoylamino)propylamino]-6-oxo-hexyl]-3,3-dimethyl-5-sulfonato-indol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethyl-indoline-5-sulfonate CAS Name: potassium (2E)-2-[(2E,4E)-5-[1-[6-[3-[(2,2-dimethyl-1-oxopropyl)amino]propylamino]-6-oxohexyl]-3,3-dimethyl-5-sulfonato-2-indol-1-iumyl]penta-2,4-dienylidene]-3,3-dimethyl-1-[6-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propylamino]-6-oxohexyl]-5-indolesulfonate IUPAC Name: potassium (2E)-2-[(2E,4E)-5-[1-[6-[3-(2,2-dimethylpropanoylamino)propylamino]-6-oxohexyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethyl-1-[6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]-6-oxohexyl]indole-5-sulfonate Traditional Name: potassium (2E)-1-[6-[3-(tert-butoxycarbonylamino)propylamino]-6-keto-hexyl]-2-[(2E,4E)-5-[1-[6-keto-6-[3-(pivaloylamino)propylamino]hexyl]-3,3-dimethyl-5-sulfonato-indol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethyl-indoline-5-sulfonate Formula: C53H77KN6O11S2 MolecularWeight: 1077.44038

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)S(=O)(=O)[O-])[N+](=C1C=CC=CC=C3C(C4=C(N3CCCCCC(=O)NCCCNC(=O)OC(C)(C)C)C=CC(=C4)S(=O)(=O)[O-])(C)C)CCCCCC(=O)NCCCNC(=O)C(C)(C)C)C.[K+]

Isomeric SMILES

CC1(C2=C(C=CC(=C2)S(=O)(=O)[O-])[N+](=C1/C=C/C=C/C=C/3\C(C4=C(N3CCCCCC(=O)NCCCNC(=O)OC(C)(C)C)C=CC(=C4)S(=O)(=O)[O-])(C)C)CCCCCC(=O)NCCCNC(=O)C(C)(C)C)C.[K+]

InChI

InChI=1S/C53H78N6O11S2.K/c1-50(2,3)48(62)56-32-20-30-54-46(60)24-16-12-18-34-58-42-28-26-38(71(64,65)66)36-40(42)52(7,8)44(58)22-14-11-15-23-45-53(9,10)41-37-39(72(67,68)69)27-29-43(41)59(45)35-19-13-17-25-47(61)55-31-21-33-57-49(63)70-51(4,5)6;/h11,14-15,22-23,26-29,36-37H,12-13,16-21,24-25,30-35H2,1-10H3,(H5-,54,55,56,57,60,61,62,63,64,65,66,67,68,69);/q;+1/p-1