methyl 3-[[1-methyl-5-[[1-methyl-5-(propylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]amino]-3-oxidanylidene-propane-1-sulfonate

Systemtic Name: methyl 3-[[1-methyl-5-[[1-methyl-5-(propylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]amino]-3-oxidanylidene-propane-1-sulfonate Openeye Name: methyl 3-[[1-methyl-5-[[1-methyl-5-(propylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]amino]-3-oxo-propane-1-sulfonate CAS Name: 3-[[1-methyl-5-[[[1-methyl-5-[oxo(propylamino)methyl]-3-pyrrolyl]amino]-oxomethyl]-3-pyrrolyl]amino]-3-oxo-1-propanesulfonic acid IUPAC Name: methyl 3-[[1-methyl-5-[[1-methyl-5-(propylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]amino]-3-oxopropane-1-sulfonate Traditional Name: 3-keto-3-[[1-methyl-5-[[1-methyl-5-(propylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]amino]propane-1-sulfonic acid methyl ester Formula: C19H27N5O6S MolecularWeight: 453.51258

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC(=CN1C)NC(=O)C2=CC(=CN2C)NC(=O)CCS(=O)(=O)OC

Isomeric SMILES

CCCNC(=O)C1=CC(=CN1C)NC(=O)C2=CC(=CN2C)NC(=O)CCS(=O)(=O)OC

InChI

InChI=1S/C19H27N5O6S/c1-5-7-20-18(26)15-10-14(12-23(15)2)22-19(27)16-9-13(11-24(16)3)21-17(25)6-8-31(28,29)30-4/h9-12H,5-8H2,1-4H3,(H,20,26)(H,21,25)(H,22,27)