2-azanyl-4-methyl-2-[(Z)-N-methylsulfonyl-C-piperazin-1-yl-carbonimidoyl]pentanoic acid

Systemtic Name: 2-azanyl-4-methyl-2-[(Z)-N-methylsulfonyl-C-piperazin-1-yl-carbonimidoyl]pentanoic acid Openeye Name: 2-amino-4-methyl-2-[(Z)-N-methylsulfonyl-C-piperazin-1-yl-carbonimidoyl]pentanoic acid CAS Name: 2-amino-4-methyl-2-[(Z)-methylsulfonylimino(1-piperazinyl)methyl]pentanoic acid IUPAC Name: 2-amino-4-methyl-2-[(Z)-N-methylsulfonyl-C-piperazin-1-ylcarbonimidoyl]pentanoic acid Traditional Name: 2-amino-2-[(Z)-N-mesyl-C-piperazino-carbonimidoyl]-4-methyl-valeric acid Formula: C12H24N4O4S MolecularWeight: 320.40836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=NS(=O)(=O)C)N1CCNCC1)(C(=O)O)N

Isomeric SMILES

CC(C)CC(/C(=N/S(=O)(=O)C)/N1CCNCC1)(C(=O)O)N

InChI

InChI=1S/C12H24N4O4S/c1-9(2)8-12(13,11(17)18)10(15-21(3,19)20)16-6-4-14-5-7-16/h9,14H,4-8,13H2,1-3H3,(H,17,18)/b15-10-