3-[2-[[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(Z)-[4-(1-ethanoylsulfanylethyl)-3-methyl-5-oxidanylidene-pyrrol-2-ylidene]methyl]-1H-pyrrol-3-yl]propanoic acid

Systemtic Name: 3-[2-[[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(Z)-[4-(1-ethanoylsulfanylethyl)-3-methyl-5-oxidanylidene-pyrrol-2-ylidene]methyl]-1H-pyrrol-3-yl]propanoic acid Openeye Name: 3-[5-[(Z)-[4-(1-acetylsulfanylethyl)-3-methyl-5-oxo-pyrrol-2-ylidene]methyl]-2-[[3-(2-carboxyethyl)-4-methyl-5-[(Z)-(4-methyl-5-oxo-3-vinyl-pyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl]methyl]-1H-pyrrol-3-yl]propanoic acid CAS Name: 3-[5-[(Z)-[4-[1-(acetylthio)ethyl]-3-methyl-5-oxo-2-pyrrolylidene]methyl]-2-[[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxo-2-pyrrolylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-1H-pyrrol-3-yl]propanoic acid IUPAC Name: 3-[5-[(Z)-[4-(1-acetylsulfanylethyl)-3-methyl-5-oxopyrrol-2-ylidene]methyl]-2-[[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-1H-pyrrol-3-yl]propanoic acid Traditional Name: 3-[5-[(Z)-[4-[1-(acetylthio)ethyl]-5-keto-3-methyl-3-pyrrolin-2-ylidene]methyl]-2-[[3-(2-carboxyethyl)-5-[(Z)-(5-keto-4-methyl-3-vinyl-3-pyrrolin-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-1H-pyrrol-3-yl]propionic acid Formula: C34H38N4O7S MolecularWeight: 646.75312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1CCC(=O)O)CC2=C(C=C(N2)C=C3C(=C(C(=O)N3)C(C)SC(=O)C)C)CCC(=O)O)C=C4C(=C(C(=O)N4)C)C=C

Isomeric SMILES

CC1=C(NC(=C1CCC(=O)O)CC2=C(C=C(N2)/C=C\3/C(=C(C(=O)N3)C(C)SC(=O)C)C)CCC(=O)O)/C=C\4/C(=C(C(=O)N4)C)C=C

InChI

InChI=1S/C34H38N4O7S/c1-7-23-17(3)33(44)38-28(23)14-26-16(2)24(9-11-31(42)43)29(36-26)15-27-21(8-10-30(40)41)12-22(35-27)13-25-18(4)32(34(45)37-25)19(5)46-20(6)39/h7,12-14,19,35-36H,1,8-11,15H2,2-6H3,(H,37,45)(H,38,44)(H,40,41)(H,42,43)/b25-13-,28-14-