3-[2-[[3-(2-carboxyethyl)-5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-5-[[(3R)-3-methyl-2-oxidanylidene-4-(2-sulfanylethyl)-1,3-dihydropyrrol-5-yl]methyl]-1H-pyrrol-3-yl]propanoic acid

Systemtic Name: 3-[2-[[3-(2-carboxyethyl)-5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-5-[[(3R)-3-methyl-2-oxidanylidene-4-(2-sulfanylethyl)-1,3-dihydropyrrol-5-yl]methyl]-1H-pyrrol-3-yl]propanoic acid Openeye Name: 3-[2-[[3-(2-carboxyethyl)-5-[(4-ethyl-3-methyl-5-oxo-pyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-5-[[(3R)-3-methyl-2-oxo-4-(2-sulfanylethyl)-1,3-dihydropyrrol-5-yl]methyl]-1H-pyrrol-3-yl]propanoic acid CAS Name: 3-[2-[[3-(2-carboxyethyl)-5-[(4-ethyl-3-methyl-5-oxo-2-pyrrolyl)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[[(3R)-4-(2-mercaptoethyl)-3-methyl-2-oxo-1,3-dihydropyrrol-5-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid IUPAC Name: 3-[2-[[3-(2-carboxyethyl)-5-[(4-ethyl-3-methyl-5-oxopyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-5-[[(3R)-3-methyl-2-oxo-4-(2-sulfanylethyl)-1,3-dihydropyrrol-5-yl]methyl]-1H-pyrrol-3-yl]propanoic acid Traditional Name: 3-[2-[[3-(2-carboxyethyl)-5-[(4-ethyl-5-keto-3-methyl-pyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[[(4R)-5-keto-3-(2-mercaptoethyl)-4-methyl-2-pyrrolin-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propionic acid Formula: C33H42N4O6S MolecularWeight: 622.77478

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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=C(C(C(=O)N4)C)CCS)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=C([C@H](C(=O)N4)C)CCS)C)CCC(=O)O)CCC(=O)O)C)C

InChI

InChI=1S/C33H42N4O6S/c1-6-20-16(2)26(36-33(20)43)13-24-17(3)21(7-9-30(38)39)27(34-24)15-28-22(8-10-31(40)41)18(4)25(35-28)14-29-23(11-12-44)19(5)32(42)37-29/h19,34-35,44H,6-15H2,1-5H3,(H,37,42)(H,38,39)(H,40,41)/t19-/m1/s1