(2S)-4-methyl-2-[4-(4-methylpiperazin-1-yl)butanoylamino]pentanoic acid

Systemtic Name: (2S)-4-methyl-2-[4-(4-methylpiperazin-1-yl)butanoylamino]pentanoic acid Openeye Name: (2S)-4-methyl-2-[4-(4-methylpiperazin-1-yl)butanoylamino]pentanoic acid CAS Name: (2S)-4-methyl-2-[[4-(4-methyl-1-piperazinyl)-1-oxobutyl]amino]pentanoic acid IUPAC Name: (2S)-4-methyl-2-[4-(4-methylpiperazin-1-yl)butanoylamino]pentanoic acid Traditional Name: (2S)-4-methyl-2-[4-(4-methylpiperazino)butanoylamino]valeric acid Formula: C15H29N3O3 MolecularWeight: 299.40906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H29N3O3/c1-12(2)11-13(15(20)21)16-14(19)5-4-6-18-9-7-17(3)8-10-18/h12-13H,4-11H2,1-3H3,(H,16,19)(H,20,21)/t13-/m0/s1