methyl 3-[2-[[5-[(E)-[5-[[5-methanoyl-3-(2-methoxy-2-oxidanylidene-ethyl)-4-(3-methoxy-3-oxidanylidene-propyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxidanylidene-ethyl)-3-(3-methoxy-3-oxidanylidene-propyl)pyrrol-1-ium-2-ylidene]methyl]-3-(2-methoxy-2-oxidanylidene-ethyl)-4-(3-methoxy-3-oxidanylidene-propyl)-1H-pyrrol-2-yl]methyl]-5-oxidanylidene-1,4,6,7-tetrahydropyrrolo[2,3-c]pyridin-3-yl]propanoate bromide

Systemtic Name: methyl 3-[2-[[5-[(E)-[5-[[5-methanoyl-3-(2-methoxy-2-oxidanylidene-ethyl)-4-(3-methoxy-3-oxidanylidene-propyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxidanylidene-ethyl)-3-(3-methoxy-3-oxidanylidene-propyl)pyrrol-1-ium-2-ylidene]methyl]-3-(2-methoxy-2-oxidanylidene-ethyl)-4-(3-methoxy-3-oxidanylidene-propyl)-1H-pyrrol-2-yl]methyl]-5-oxidanylidene-1,4,6,7-tetrahydropyrrolo[2,3-c]pyridin-3-yl]propanoate bromide Openeye Name: methyl 3-[2-[[5-[(E)-[5-[[5-formyl-3-(2-methoxy-2-oxo-ethyl)-4-(3-methoxy-3-oxo-propyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxo-ethyl)-3-(3-methoxy-3-oxo-propyl)pyrrol-1-ium-2-ylidene]methyl]-3-(2-methoxy-2-oxo-ethyl)-4-(3-methoxy-3-oxo-propyl)-1H-pyrrol-2-yl]methyl]-5-oxo-1,4,6,7-tetrahydropyrrolo[2,3-c]pyridin-3-yl]propanoate bromide CAS Name: 3-[2-[[5-[(E)-[5-[[5-formyl-3-(2-methoxy-2-oxoethyl)-4-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-2-pyrrol-1-iumylidene]methyl]-3-(2-methoxy-2-oxoethyl)-4-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-5-oxo-1,4,6,7-tetrahydropyrrolo[2,3-c]pyridin-3-yl]propanoic acid methyl ester bromide IUPAC Name: methyl 3-[2-[[5-[(E)-[5-[[5-formyl-3-(2-methoxy-2-oxoethyl)-4-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)pyrrol-1-ium-2-ylidene]methyl]-3-(2-methoxy-2-oxoethyl)-4-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-5-oxo-1,4,6,7-tetrahydropyrrolo[2,3-c]pyridin-3-yl]propanoate bromide Traditional Name: 3-[2-[[5-[(E)-[5-[[5-formyl-3-(2-keto-2-methoxy-ethyl)-4-(3-keto-3-methoxy-propyl)-1H-pyrrol-2-yl]methyl]-4-(2-keto-2-methoxy-ethyl)-3-(3-keto-3-methoxy-propyl)pyrrol-1-ium-2-ylidene]methyl]-3-(2-keto-2-methoxy-ethyl)-4-(3-keto-3-methoxy-propyl)-1H-pyrrol-2-yl]methyl]-5-keto-1,4,6,7-tetrahydropyrrolo[2,3-c]pyridin-3-yl]propionic acid methyl ester bromide Formula: C48H58BrN5O16 MolecularWeight: 1040.90202

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=C(NC2=C1CC(=O)NC2)CC3=C(C(=C(N3)C=C4C(=C(C(=[NH+]4)CC5=C(C(=C(N5)C=O)CCC(=O)OC)CC(=O)OC)CC(=O)OC)CCC(=O)OC)CCC(=O)OC)CC(=O)OC.[Br-]

Isomeric SMILES

COC(=O)CCC1=C(NC2=C1CC(=O)NC2)CC3=C(C(=C(N3)/C=C/4\C(=C(C(=[NH+]4)CC5=C(C(=C(N5)C=O)CCC(=O)OC)CC(=O)OC)CC(=O)OC)CCC(=O)OC)CCC(=O)OC)CC(=O)OC.[Br-]

InChI

InChI=1S/C48H57N5O16.BrH/c1-63-42(56)12-8-25-29-16-41(55)49-23-39(29)52-35(25)21-36-30(17-46(60)67-5)26(9-13-43(57)64-2)33(50-36)20-34-27(10-14-44(58)65-3)31(18-47(61)68-6)37(51-34)22-38-32(19-48(62)69-7)28(40(24-54)53-38)11-15-45(59)66-4;/h20,24,50,52-53H,8-19,21-23H2,1-7H3,(H,49,55);1H/b34-20+;