(3S)-N-methyl-2-[(3S)-3-(phenylmethoxycarbamoyl)octanoyl]-1,2-diazinane-3-carboxamide

Systemtic Name: (3S)-N-methyl-2-[(3S)-3-(phenylmethoxycarbamoyl)octanoyl]-1,2-diazinane-3-carboxamide Openeye Name: (3S)-2-[(3S)-3-(benzyloxycarbamoyl)octanoyl]-N-methyl-hexahydropyridazine-3-carboxamide CAS Name: (3S)-N-methyl-2-[(3S)-1-oxo-3-[oxo-(phenylmethoxyamino)methyl]octyl]-3-diazinanecarboxamide IUPAC Name: (3S)-N-methyl-2-[(3S)-3-(phenylmethoxycarbamoyl)octanoyl]diazinane-3-carboxamide Traditional Name: (3S)-2-[(3S)-3-(benzoxycarbamoyl)octanoyl]-N-methyl-hexahydropyridazine-3-carboxamide Formula: C22H34N4O4 MolecularWeight: 418.52976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC(=O)N1C(CCCN1)C(=O)NC)C(=O)NOCC2=CC=CC=C2

Isomeric SMILES

CCCCC[C@@H](CC(=O)N1[C@@H](CCCN1)C(=O)NC)C(=O)NOCC2=CC=CC=C2

InChI

InChI=1S/C22H34N4O4/c1-3-4-6-12-18(21(28)25-30-16-17-10-7-5-8-11-17)15-20(27)26-19(22(29)23-2)13-9-14-24-26/h5,7-8,10-11,18-19,24H,3-4,6,9,12-16H2,1-2H3,(H,23,29)(H,25,28)/t18-,19-/m0/s1