3-[(2Z,5E)-2-[[3-(2-carboxyethyl)-4-methyl-5-[(Z)-[4-methyl-5-oxidanylidene-3-(1-sulfanylethenyl)pyrrol-2-ylidene]methyl]-1H-pyrrol-2-yl]methylidene]-4-methyl-5-[[(3R)-4-methyl-2-oxidanylidene-3-[(1S)-1-sulfanylethyl]-1,3-dihydropyrrol-5-yl]methylidene]pyrrol-3-yl]propanoic acid

Systemtic Name: 3-[(2Z,5E)-2-[[3-(2-carboxyethyl)-4-methyl-5-[(Z)-[4-methyl-5-oxidanylidene-3-(1-sulfanylethenyl)pyrrol-2-ylidene]methyl]-1H-pyrrol-2-yl]methylidene]-4-methyl-5-[[(3R)-4-methyl-2-oxidanylidene-3-[(1S)-1-sulfanylethyl]-1,3-dihydropyrrol-5-yl]methylidene]pyrrol-3-yl]propanoic acid Openeye Name: 3-[(2Z,5E)-2-[[3-(2-carboxyethyl)-4-methyl-5-[(Z)-[4-methyl-5-oxo-3-(1-sulfanylvinyl)pyrrol-2-ylidene]methyl]-1H-pyrrol-2-yl]methylene]-4-methyl-5-[[(3R)-4-methyl-2-oxo-3-[(1S)-1-sulfanylethyl]-1,3-dihydropyrrol-5-yl]methylene]pyrrol-3-yl]propanoic acid CAS Name: 3-[(2Z,5E)-2-[[3-(2-carboxyethyl)-5-[(Z)-[3-(1-mercaptoethenyl)-4-methyl-5-oxo-2-pyrrolylidene]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[[(3R)-3-[(1S)-1-mercaptoethyl]-4-methyl-2-oxo-1,3-dihydropyrrol-5-yl]methylidene]-4-methyl-3-pyrrolyl]propanoic acid IUPAC Name: 3-[(2Z,5E)-2-[[3-(2-carboxyethyl)-4-methyl-5-[(Z)-[4-methyl-5-oxo-3-(1-sulfanylethenyl)pyrrol-2-ylidene]methyl]-1H-pyrrol-2-yl]methylidene]-4-methyl-5-[[(3R)-4-methyl-2-oxo-3-[(1S)-1-sulfanylethyl]-1,3-dihydropyrrol-5-yl]methylidene]pyrrol-3-yl]propanoic acid Traditional Name: 3-[(2Z,5E)-2-[[3-(2-carboxyethyl)-5-[(Z)-[5-keto-3-(1-mercaptovinyl)-4-methyl-3-pyrrolin-2-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]methylene]-5-[[(4R)-5-keto-4-[(1S)-1-mercaptoethyl]-3-methyl-2-pyrrolin-2-yl]methylene]-4-methyl-3-pyrrolin-3-yl]propionic acid Formula: C33H38N4O6S2 MolecularWeight: 650.80802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=O)C1C(C)S)C=C2C(=C(C(=CC3=C(C(=C(N3)C=C4C(=C(C(=O)N4)C)C(=C)S)C)CCC(=O)O)N2)CCC(=O)O)C

Isomeric SMILES

CC1=C(NC(=O)[C@@H]1[C@H](C)S)/C=C/2\C(=C(/C(=C/C3=C(C(=C(N3)/C=C\4/C(=C(C(=O)N4)C)C(=C)S)C)CCC(=O)O)/N2)CCC(=O)O)C

InChI

InChI=1S/C33H38N4O6S2/c1-14-20(7-9-28(38)39)25(34-22(14)11-24-16(3)31(19(6)45)33(43)36-24)13-26-21(8-10-29(40)41)15(2)23(35-26)12-27-30(18(5)44)17(4)32(42)37-27/h11-13,19,31,34-35,44-45H,5,7-10H2,1-4,6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b22-11+,25-13-,27-12-/t19-,31-/m0/s1