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

Systemtic Name: (2S,3S)-2-[[3-(4-ethylpiperazin-4-ium-1-yl)-2,2-dimethyl-propanoyl]amino]-3-methyl-pentanoate Openeye Name: (2S,3S)-2-[[3-(4-ethylpiperazin-4-ium-1-yl)-2,2-dimethyl-propanoyl]amino]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[3-(4-ethyl-1-piperazin-4-iumyl)-2,2-dimethyl-1-oxopropyl]amino]-3-methylpentanoate IUPAC Name: (2S,3S)-2-[[3-(4-ethylpiperazin-4-ium-1-yl)-2,2-dimethylpropanoyl]amino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[[3-(4-ethylpiperazin-4-ium-1-yl)-2,2-dimethyl-propanoyl]amino]-3-methyl-valerate Formula: C17H33N3O3 MolecularWeight: 327.46222

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)C(C)(C)CN1CC[NH+](CC1)CC

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)[O-])NC(=O)C(C)(C)CN1CC[NH+](CC1)CC

InChI

InChI=1S/C17H33N3O3/c1-6-13(3)14(15(21)22)18-16(23)17(4,5)12-20-10-8-19(7-2)9-11-20/h13-14H,6-12H2,1-5H3,(H,18,23)(H,21,22)/t13-,14-/m0/s1