(2S)-2-[[(2S)-2-(4-ethanoylpiperazin-1-ium-1-yl)propanoyl]amino]-3-methyl-butanoate

Systemtic Name: (2S)-2-[[(2S)-2-(4-ethanoylpiperazin-1-ium-1-yl)propanoyl]amino]-3-methyl-butanoate Openeye Name: (2S)-2-[[(2S)-2-(4-acetylpiperazin-1-ium-1-yl)propanoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2S)-2-(4-acetyl-1-piperazin-1-iumyl)-1-oxopropyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[[(2S)-2-(4-acetylpiperazin-1-ium-1-yl)propanoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[(2S)-2-(4-acetylpiperazin-1-ium-1-yl)propanoyl]amino]-3-methyl-butyrate Formula: C14H25N3O4 MolecularWeight: 299.366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)C(C)[NH+]1CCN(CC1)C(=O)C

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)[O-])[NH+]1CCN(CC1)C(=O)C

InChI

InChI=1S/C14H25N3O4/c1-9(2)12(14(20)21)15-13(19)10(3)16-5-7-17(8-6-16)11(4)18/h9-10,12H,5-8H2,1-4H3,(H,15,19)(H,20,21)/t10-,12-/m0/s1