2-azanyl-4-[4-methyl-3,5-bis(oxidanylidene)piperazin-1-yl]butanoic acid hydrate

Systemtic Name: 2-azanyl-4-[4-methyl-3,5-bis(oxidanylidene)piperazin-1-yl]butanoic acid hydrate Openeye Name: 2-amino-4-(4-methyl-3,5-dioxo-piperazin-1-yl)butanoic acid hydrate CAS Name: 2-amino-4-(4-methyl-3,5-dioxo-1-piperazinyl)butanoic acid hydrate IUPAC Name: 2-amino-4-(4-methyl-3,5-dioxopiperazin-1-yl)butanoic acid hydrate Traditional Name: 2-amino-4-(3,5-diketo-4-methyl-piperazino)butyric acid hydrate Formula: C9H17N3O5 MolecularWeight: 247.24838

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CN(CC1=O)CCC(C(=O)O)N.O

Isomeric SMILES

CN1C(=O)CN(CC1=O)CCC(C(=O)O)N.O

InChI

InChI=1S/C9H15N3O4.H2O/c1-11-7(13)4-12(5-8(11)14)3-2-6(10)9(15)16;/h6H,2-5,10H2,1H3,(H,15,16);1H2