(2E)-2-[(E)-3-[1-[6-[3-(2,2-dimethylpropanoylamino)propylamino]-6-oxidanylidene-hexyl]-3,3-dimethyl-5-sulfo-indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-1-[6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]-6-oxidanylidene-hexyl]indole-5-sulfonic acid

Systemtic Name: (2E)-2-[(E)-3-[1-[6-[3-(2,2-dimethylpropanoylamino)propylamino]-6-oxidanylidene-hexyl]-3,3-dimethyl-5-sulfo-indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-1-[6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]-6-oxidanylidene-hexyl]indole-5-sulfonic acid Openeye Name: (2E)-1-[6-[3-(tert-butoxycarbonylamino)propylamino]-6-oxo-hexyl]-2-[(E)-3-[1-[6-[3-(2,2-dimethylpropanoylamino)propylamino]-6-oxo-hexyl]-3,3-dimethyl-5-sulfo-indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-indoline-5-sulfonic acid CAS Name: (2E)-2-[(E)-3-[1-[6-[3-[(2,2-dimethyl-1-oxopropyl)amino]propylamino]-6-oxohexyl]-3,3-dimethyl-5-sulfo-2-indol-1-iumyl]prop-2-enylidene]-3,3-dimethyl-1-[6-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propylamino]-6-oxohexyl]-5-indolesulfonic acid IUPAC Name: (2E)-2-[(E)-3-[1-[6-[3-(2,2-dimethylpropanoylamino)propylamino]-6-oxohexyl]-3,3-dimethyl-5-sulfoindol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-1-[6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]-6-oxohexyl]indole-5-sulfonic acid Traditional Name: (2E)-1-[6-[3-(tert-butoxycarbonylamino)propylamino]-6-keto-hexyl]-2-[(E)-3-[1-[6-keto-6-[3-(pivaloylamino)propylamino]hexyl]-3,3-dimethyl-5-sulfo-indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-indoline-5-sulfonic acid Formula: C51H77N6O11S2+ MolecularWeight: 1014.32068

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)S(=O)(=O)O)[N+](=C1C=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

Isomeric SMILES

CC1(C2=C(C=CC(=C2)S(=O)(=O)O)[N+](=C1/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

InChI

InChI=1S/C51H76N6O11S2/c1-48(2,3)46(60)54-30-18-28-52-44(58)22-13-11-15-32-56-40-26-24-36(69(62,63)64)34-38(40)50(7,8)42(56)20-17-21-43-51(9,10)39-35-37(70(65,66)67)25-27-41(39)57(43)33-16-12-14-23-45(59)53-29-19-31-55-47(61)68-49(4,5)6/h17,20-21,24-27,34-35H,11-16,18-19,22-23,28-33H2,1-10H3,(H5-,52,53,54,55,58,59,60,61,62,63,64,65,66,67)/p+1