(2S)-2-[4-[4-(2-hydroxyethyl)piperazin-1-yl]butanoylamino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[4-[4-(2-hydroxyethyl)piperazin-1-yl]butanoylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[4-[4-(2-hydroxyethyl)piperazin-1-yl]butanoylamino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[4-[4-(2-hydroxyethyl)-1-piperazinyl]-1-oxobutyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[4-[4-(2-hydroxyethyl)piperazin-1-yl]butanoylamino]-3-methylbutanoic acid Traditional Name: (2S)-2-[4-[4-(2-hydroxyethyl)piperazino]butanoylamino]-3-methyl-butyric acid Formula: C15H29N3O4 MolecularWeight: 315.40846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)CCCN1CCN(CC1)CCO

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC(=O)CCCN1CCN(CC1)CCO

InChI

InChI=1S/C15H29N3O4/c1-12(2)14(15(21)22)16-13(20)4-3-5-17-6-8-18(9-7-17)10-11-19/h12,14,19H,3-11H2,1-2H3,(H,16,20)(H,21,22)/t14-/m0/s1