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

Systemtic Name: (2S)-2-[[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-2-methyl-propanoyl]amino]-3-methyl-butanoate Openeye Name: (2S)-2-[[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-2-methyl-propanoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[2-[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]-2-methyl-1-oxopropyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-2-methylpropanoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-2-methyl-propanoyl]amino]-3-methyl-butyrate Formula: C15H29N3O4 MolecularWeight: 315.40846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H29N3O4/c1-11(2)12(13(20)21)16-14(22)15(3,4)18-7-5-17(6-8-18)9-10-19/h11-12,19H,5-10H2,1-4H3,(H,16,22)(H,20,21)/t12-/m0/s1