(2R)-2-[[2-(4-ethylpiperazin-1-ium-1-yl)-2-methyl-propanoyl]amino]-3-methyl-butanoate

Systemtic Name: (2R)-2-[[2-(4-ethylpiperazin-1-ium-1-yl)-2-methyl-propanoyl]amino]-3-methyl-butanoate Openeye Name: (2R)-2-[[2-(4-ethylpiperazin-1-ium-1-yl)-2-methyl-propanoyl]amino]-3-methyl-butanoate CAS Name: (2R)-2-[[2-(4-ethyl-1-piperazin-1-iumyl)-2-methyl-1-oxopropyl]amino]-3-methylbutanoate IUPAC Name: (2R)-2-[[2-(4-ethylpiperazin-1-ium-1-yl)-2-methylpropanoyl]amino]-3-methylbutanoate Traditional Name: (2R)-2-[[2-(4-ethylpiperazin-1-ium-1-yl)-2-methyl-propanoyl]amino]-3-methyl-butyrate Formula: C15H29N3O3 MolecularWeight: 299.40906

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)C(C)(C)C(=O)NC(C(C)C)C(=O)[O-]

Isomeric SMILES

CCN1CC[NH+](CC1)C(C)(C)C(=O)N[C@H](C(C)C)C(=O)[O-]

InChI

InChI=1S/C15H29N3O3/c1-6-17-7-9-18(10-8-17)15(4,5)14(21)16-12(11(2)3)13(19)20/h11-12H,6-10H2,1-5H3,(H,16,21)(H,19,20)/t12-/m1/s1