N-(1-azanyl-4-methylsulfonyl-1-oxidanylidene-butan-2-yl)-1-(1-methylpyrrol-2-yl)carbonyl-4-(prop-2-enylcarbamoylamino)pyrrolidine-2-carboxamide

Systemtic Name: N-(1-azanyl-4-methylsulfonyl-1-oxidanylidene-butan-2-yl)-1-(1-methylpyrrol-2-yl)carbonyl-4-(prop-2-enylcarbamoylamino)pyrrolidine-2-carboxamide Openeye Name: 4-(allylcarbamoylamino)-N-(1-carbamoyl-3-methylsulfonyl-propyl)-1-(1-methylpyrrole-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-(1-amino-4-methylsulfonyl-1-oxobutan-2-yl)-1-[(1-methyl-2-pyrrolyl)-oxomethyl]-4-[[oxo-(prop-2-enylamino)methyl]amino]-2-pyrrolidinecarboxamide IUPAC Name: N-(1-amino-4-methylsulfonyl-1-oxobutan-2-yl)-1-(1-methylpyrrole-2-carbonyl)-4-(prop-2-enylcarbamoylamino)pyrrolidine-2-carboxamide Traditional Name: 4-(allylcarbamoylamino)-N-(1-carbamoyl-3-mesyl-propyl)-1-(1-methylpyrrole-2-carbonyl)pyrrolidine-2-carboxamide Formula: C20H30N6O6S MolecularWeight: 482.5538

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)N2CC(CC2C(=O)NC(CCS(=O)(=O)C)C(=O)N)NC(=O)NCC=C

Isomeric SMILES

CN1C=CC=C1C(=O)N2CC(CC2C(=O)NC(CCS(=O)(=O)C)C(=O)N)NC(=O)NCC=C

InChI

InChI=1S/C20H30N6O6S/c1-4-8-22-20(30)23-13-11-16(26(12-13)19(29)15-6-5-9-25(15)2)18(28)24-14(17(21)27)7-10-33(3,31)32/h4-6,9,13-14,16H,1,7-8,10-12H2,2-3H3,(H2,21,27)(H,24,28)(H2,22,23,30)