5-[[(2S)-1-methoxy-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]-4-morpholin-4-yl-1H-pyrrole-2-carboxylic acid

Systemtic Name: 5-[[(2S)-1-methoxy-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]-4-morpholin-4-yl-1H-pyrrole-2-carboxylic acid Openeye Name: 5-[[(1S)-1-methoxycarbonyl-3-methyl-butyl]carbamoyl]-4-morpholino-1H-pyrrole-2-carboxylic acid CAS Name: 5-[[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-oxomethyl]-4-(4-morpholinyl)-1H-pyrrole-2-carboxylic acid IUPAC Name: 5-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]carbamoyl]-4-morpholin-4-yl-1H-pyrrole-2-carboxylic acid Traditional Name: 5-[[(1S)-1-carbomethoxy-3-methyl-butyl]carbamoyl]-4-morpholino-1H-pyrrole-2-carboxylic acid Formula: C17H25N3O6 MolecularWeight: 367.3969

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C1=C(C=C(N1)C(=O)O)N2CCOCC2

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)NC(=O)C1=C(C=C(N1)C(=O)O)N2CCOCC2

InChI

InChI=1S/C17H25N3O6/c1-10(2)8-12(17(24)25-3)19-15(21)14-13(9-11(18-14)16(22)23)20-4-6-26-7-5-20/h9-10,12,18H,4-8H2,1-3H3,(H,19,21)(H,22,23)/t12-/m0/s1