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

Systemtic Name: 2-azanyl-2-[(E)-N-(ethylcarbamoyl)-C-piperazin-1-yl-carbonimidoyl]-4-methyl-pentanoic acid Openeye Name: 2-amino-2-[(E)-N-(ethylcarbamoyl)-C-piperazin-1-yl-carbonimidoyl]-4-methyl-pentanoic acid CAS Name: 2-amino-2-[(E)-ethylcarbamoylimino(1-piperazinyl)methyl]-4-methylpentanoic acid IUPAC Name: 2-amino-2-[(E)-N-(ethylcarbamoyl)-C-piperazin-1-ylcarbonimidoyl]-4-methylpentanoic acid Traditional Name: 2-amino-2-[(E)-N-(ethylcarbamoyl)-C-piperazino-carbonimidoyl]-4-methyl-valeric acid Formula: C14H27N5O3 MolecularWeight: 313.39588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCNC(=O)/N=C(\C(CC(C)C)(C(=O)O)N)/N1CCNCC1

InChI

InChI=1S/C14H27N5O3/c1-4-17-13(22)18-11(19-7-5-16-6-8-19)14(15,12(20)21)9-10(2)3/h10,16H,4-9,15H2,1-3H3,(H,17,22)(H,20,21)/b18-11+