(2S,3S)-2-[4-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]butanoylamino]-3-methyl-pentanoate

Systemtic Name: (2S,3S)-2-[4-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]butanoylamino]-3-methyl-pentanoate Openeye Name: (2S,3S)-2-[4-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]butanoylamino]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[4-[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]-1-oxobutyl]amino]-3-methylpentanoate IUPAC Name: (2S,3S)-2-[4-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]butanoylamino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[4-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]butanoylamino]-3-methyl-valerate Formula: C16H31N3O4 MolecularWeight: 329.43504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H31N3O4/c1-3-13(2)15(16(22)23)17-14(21)5-4-6-18-7-9-19(10-8-18)11-12-20/h13,15,20H,3-12H2,1-2H3,(H,17,21)(H,22,23)/t13-,15-/m0/s1