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

Systemtic Name: (2S)-2-[3-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]propanoylamino]-4-methyl-pentanoate Openeye Name: (2S)-2-[3-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]propanoylamino]-4-methyl-pentanoate CAS Name: (2S)-2-[[3-[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]-1-oxopropyl]amino]-4-methylpentanoate IUPAC Name: (2S)-2-[3-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]propanoylamino]-4-methylpentanoate Traditional Name: (2S)-2-[3-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]propanoylamino]-4-methyl-valerate Formula: C15H29N3O4 MolecularWeight: 315.40846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H29N3O4/c1-12(2)11-13(15(21)22)16-14(20)3-4-17-5-7-18(8-6-17)9-10-19/h12-13,19H,3-11H2,1-2H3,(H,16,20)(H,21,22)/t13-/m0/s1