[3-aminocarbonyl-5-[2-[2-[[5-aminocarbonyl-1-[(E)-2-[[3-methoxy-4-[[2-(3-morpholin-4-ylpropylamino)-2-oxidanylidene-ethanoyl]diazenyl]phenyl]amino]-2-oxidanyl-ethenyl]pyridin-1-ium-3-yl]methoxyamino]ethylsulfanyl]ethylcarbamoyl]pyridin-1-ium-1-yl]methyl N-[3-methoxy-4-[2-[2-(3-morpholin-4-ylpropylamino)-2-oxidanylidene-ethanoyl]hydrazinyl]phenyl]methanimidate

Systemtic Name: [3-aminocarbonyl-5-[2-[2-[[5-aminocarbonyl-1-[(E)-2-[[3-methoxy-4-[[2-(3-morpholin-4-ylpropylamino)-2-oxidanylidene-ethanoyl]diazenyl]phenyl]amino]-2-oxidanyl-ethenyl]pyridin-1-ium-3-yl]methoxyamino]ethylsulfanyl]ethylcarbamoyl]pyridin-1-ium-1-yl]methyl N-[3-methoxy-4-[2-[2-(3-morpholin-4-ylpropylamino)-2-oxidanylidene-ethanoyl]hydrazinyl]phenyl]methanimidate Openeye Name: [3-carbamoyl-5-[2-[2-[[5-carbamoyl-1-[(E)-2-hydroxy-2-[3-methoxy-4-[2-(3-morpholinopropylamino)-2-oxo-acetyl]azo-anilino]vinyl]pyridin-1-ium-3-yl]methoxyamino]ethylsulfanyl]ethylcarbamoyl]pyridin-1-ium-1-yl]methyl N-[3-methoxy-4-[2-[2-(3-morpholinopropylamino)-2-oxo-acetyl]hydrazino]phenyl]methanimidate CAS Name: N-[3-methoxy-4-[[2-[3-(4-morpholinyl)propylamino]-1,2-dioxoethyl]hydrazo]phenyl]methanimidic acid [3-carbamoyl-5-[[2-[2-[[5-carbamoyl-1-[(E)-2-hydroxy-2-[3-methoxy-4-[2-[3-(4-morpholinyl)propylamino]-1,2-dioxoethyl]azoanilino]ethenyl]-3-pyridin-1-iumyl]methoxyamino]ethylthio]ethylamino]-oxomethyl]-1-pyridin-1-iumyl]methyl ester IUPAC Name: [3-carbamoyl-5-[2-[2-[[5-carbamoyl-1-[(E)-2-hydroxy-2-[3-methoxy-4-[[2-(3-morpholin-4-ylpropylamino)-2-oxoacetyl]diazenyl]anilino]ethenyl]pyridin-1-ium-3-yl]methoxyamino]ethylsulfanyl]ethylcarbamoyl]pyridin-1-ium-1-yl]methyl N-[3-methoxy-4-[2-[2-(3-morpholin-4-ylpropylamino)-2-oxoacetyl]hydrazinyl]phenyl]methanimidate Traditional Name: N-[4-[N'-[2-keto-2-(3-morpholinopropylamino)acetyl]hydrazino]-3-methoxy-phenyl]formimidic acid [3-carbamoyl-5-[2-[2-[[5-carbamoyl-1-[(E)-2-hydroxy-2-[4-[2-keto-2-(3-morpholinopropylamino)acetyl]azo-3-methoxy-anilino]vinyl]pyridin-1-ium-3-yl]methoxyamino]ethylthio]ethylcarbamoyl]pyridin-1-ium-1-yl]methyl ester Formula: C54H72N16O14S+2 MolecularWeight: 1201.31328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=C[N+]2=CC(=CC(=C2)CONCCSCCNC(=O)C3=C[N+](=CC(=C3)C(=O)N)COC=NC4=CC(=C(C=C4)NNC(=O)C(=O)NCCCN5CCOCC5)OC)C(=O)N)O)N=NC(=O)C(=O)NCCCN6CCOCC6

Isomeric SMILES

COC1=C(C=CC(=C1)N/C(=C\[N+]2=CC(=CC(=C2)CONCCSCCNC(=O)C3=C[N+](=CC(=C3)C(=O)N)COC=NC4=CC(=C(C=C4)NNC(=O)C(=O)NCCCN5CCOCC5)OC)C(=O)N)/O)N=NC(=O)C(=O)NCCCN6CCOCC6

InChI

InChI=1S/C54H70N16O14S/c1-79-45-27-41(5-7-43(45)63-65-53(77)51(75)57-9-3-13-67-15-19-81-20-16-67)60-35-83-36-70-31-39(49(56)73)26-40(32-70)50(74)59-11-23-85-24-12-61-84-34-37-25-38(48(55)72)30-69(29-37)33-47(71)62-42-6-8-44(46(28-42)80-2)64-66-54(78)52(76)58-10-4-14-68-17-21-82-22-18-68/h5-8,25-33,35,61H,3-4,9-24,34,36H2,1-2H3,(H9-2,55,56,57,58,59,62,63,64,65,66,71,72,73,74,75,76,77,78)/p+2/b47-33+,60-35?