methyl 2-[[1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonylpiperidin-4-yl]carbonylamino]-2-methyl-propanoate

Systemtic Name: methyl 2-[[1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonylpiperidin-4-yl]carbonylamino]-2-methyl-propanoate Openeye Name: methyl 2-[[1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonylpiperidine-4-carbonyl]amino]-2-methyl-propanoate CAS Name: 2-[[[1-[(5-carbamoyl-1-methyl-3-pyrrolyl)sulfonyl]-4-piperidinyl]-oxomethyl]amino]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-[[1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpiperidine-4-carbonyl]amino]-2-methylpropanoate Traditional Name: 2-[[1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonylisonipecotoyl]amino]-2-methyl-propionic acid methyl ester Formula: C17H26N4O6S MolecularWeight: 414.47654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OC)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CN(C(=C2)C(=O)N)C

Isomeric SMILES

CC(C)(C(=O)OC)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CN(C(=C2)C(=O)N)C

InChI

InChI=1S/C17H26N4O6S/c1-17(2,16(24)27-4)19-15(23)11-5-7-21(8-6-11)28(25,26)12-9-13(14(18)22)20(3)10-12/h9-11H,5-8H2,1-4H3,(H2,18,22)(H,19,23)