(2S)-2-methyl-2-(3-methylbutyl)-N-oxidanidyl-N'-phenethyl-N'-(pyridin-4-ylmethylcarbamoyl)propanediamide

Systemtic Name: (2S)-2-methyl-2-(3-methylbutyl)-N-oxidanidyl-N'-phenethyl-N'-(pyridin-4-ylmethylcarbamoyl)propanediamide Openeye Name: (2S)-2-isopentyl-2-methyl-N-oxido-N'-phenethyl-N'-(4-pyridylmethylcarbamoyl)propanediamide CAS Name: (2S)-2-methyl-2-(3-methylbutyl)-N-oxido-N'-[oxo-(pyridin-4-ylmethylamino)methyl]-N'-phenethylpropanediamide IUPAC Name: (2S)-2-methyl-2-(3-methylbutyl)-N-oxido-N'-phenethyl-N'-(pyridin-4-ylmethylcarbamoyl)propanediamide Traditional Name: (2S)-2-isoamyl-2-methyl-N-oxido-N'-phenethyl-N'-(4-pyridylmethylcarbamoyl)malonamide Formula: C24H31N4O4- MolecularWeight: 439.52734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)(C(=O)N[O-])C(=O)N(CCC1=CC=CC=C1)C(=O)NCC2=CC=NC=C2

Isomeric SMILES

CC(C)CC[C@](C)(C(=O)N[O-])C(=O)N(CCC1=CC=CC=C1)C(=O)NCC2=CC=NC=C2

InChI

InChI=1S/C24H31N4O4/c1-18(2)9-13-24(3,21(29)27-32)22(30)28(16-12-19-7-5-4-6-8-19)23(31)26-17-20-10-14-25-15-11-20/h4-8,10-11,14-15,18H,9,12-13,16-17H2,1-3H3,(H2-,26,27,29,31,32)/q-1/t24-/m1/s1