(2S,3S)-3-methyl-2-[4-(4-methylpiperazin-1-yl)butanoylamino]pentanoic acid

Systemtic Name: (2S,3S)-3-methyl-2-[4-(4-methylpiperazin-1-yl)butanoylamino]pentanoic acid Openeye Name: (2S,3S)-3-methyl-2-[4-(4-methylpiperazin-1-yl)butanoylamino]pentanoic acid CAS Name: (2S,3S)-3-methyl-2-[[4-(4-methyl-1-piperazinyl)-1-oxobutyl]amino]pentanoic acid IUPAC Name: (2S,3S)-3-methyl-2-[4-(4-methylpiperazin-1-yl)butanoylamino]pentanoic acid Traditional Name: (2S,3S)-3-methyl-2-[4-(4-methylpiperazino)butanoylamino]valeric acid Formula: C15H29N3O3 MolecularWeight: 299.40906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H29N3O3/c1-4-12(2)14(15(20)21)16-13(19)6-5-7-18-10-8-17(3)9-11-18/h12,14H,4-11H2,1-3H3,(H,16,19)(H,20,21)/t12-,14-/m0/s1