3-[2-[[3-(2-carboxyethyl)-4-methyl-5-[[4-methyl-5-oxidanylidene-3-[(2S)-thiiran-1-ium-2-yl]pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]methyl]-5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid

Systemtic Name: 3-[2-[[3-(2-carboxyethyl)-4-methyl-5-[[4-methyl-5-oxidanylidene-3-[(2S)-thiiran-1-ium-2-yl]pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]methyl]-5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid Openeye Name: 3-[2-[[3-(2-carboxyethyl)-4-methyl-5-[[4-methyl-5-oxo-3-[(2S)-thiiran-1-ium-2-yl]pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]methyl]-5-[(4-ethyl-3-methyl-5-oxo-pyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid CAS Name: 3-[2-[[3-(2-carboxyethyl)-4-methyl-5-[[4-methyl-5-oxo-3-[(2S)-2-thiiran-1-iumyl]-2-pyrrolyl]methyl]-1H-pyrrol-2-yl]methyl]-5-[(4-ethyl-3-methyl-5-oxo-2-pyrrolyl)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid IUPAC Name: 3-[2-[[3-(2-carboxyethyl)-4-methyl-5-[[4-methyl-5-oxo-3-[(2S)-thiiran-1-ium-2-yl]pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]methyl]-5-[(4-ethyl-3-methyl-5-oxopyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid Traditional Name: 3-[2-[[3-(2-carboxyethyl)-5-[[5-keto-4-methyl-3-[(2S)-thiiran-1-ium-2-yl]pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(4-ethyl-5-keto-3-methyl-pyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-3-yl]propionic acid Formula: C33H39N4O6S+ MolecularWeight: 619.75096

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC1=O)CC2=C(C(=C(N2)CC3=C(C(=C(N3)CC4=NC(=O)C(=C4C5C[SH+]5)C)C)CCC(=O)O)CCC(=O)O)C)C

Isomeric SMILES

CCC1=C(C(=NC1=O)CC2=C(C(=C(N2)CC3=C(C(=C(N3)CC4=NC(=O)C(=C4[C@H]5C[SH+]5)C)C)CCC(=O)O)CCC(=O)O)C)C

InChI

InChI=1S/C33H38N4O6S/c1-6-19-15(2)24(36-33(19)43)11-22-16(3)20(7-9-29(38)39)25(34-22)13-26-21(8-10-30(40)41)17(4)23(35-26)12-27-31(28-14-44-28)18(5)32(42)37-27/h28,34-35H,6-14H2,1-5H3,(H,38,39)(H,40,41)/p+1/t28-/m1/s1