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

Systemtic Name: (2S,3S)-2-[[(2R)-2-(4-ethanoylpiperazin-1-ium-1-yl)propanoyl]amino]-3-methyl-pentanoate Openeye Name: (2S,3S)-2-[[(2R)-2-(4-acetylpiperazin-1-ium-1-yl)propanoyl]amino]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[(2R)-2-(4-acetyl-1-piperazin-1-iumyl)-1-oxopropyl]amino]-3-methylpentanoate IUPAC Name: (2S,3S)-2-[[(2R)-2-(4-acetylpiperazin-1-ium-1-yl)propanoyl]amino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[[(2R)-2-(4-acetylpiperazin-1-ium-1-yl)propanoyl]amino]-3-methyl-valerate Formula: C15H27N3O4 MolecularWeight: 313.39258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H27N3O4/c1-5-10(2)13(15(21)22)16-14(20)11(3)17-6-8-18(9-7-17)12(4)19/h10-11,13H,5-9H2,1-4H3,(H,16,20)(H,21,22)/t10-,11+,13-/m0/s1