(2S)-2-[3-(4-methylpiperazin-1-yl)propanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[3-(4-methylpiperazin-1-yl)propanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[3-(4-methylpiperazin-1-yl)propanoylamino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[3-(4-methyl-1-piperazinyl)-1-oxopropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[3-(4-methylpiperazin-1-yl)propanoylamino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[3-(4-methylpiperazino)propanoylamino]-4-(methylthio)butyric acid Formula: C13H25N3O3S MolecularWeight: 303.4209

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCC(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CN1CCN(CC1)CCC(=O)N[C@@H](CCSC)C(=O)O

InChI

InChI=1S/C13H25N3O3S/c1-15-6-8-16(9-7-15)5-3-12(17)14-11(13(18)19)4-10-20-2/h11H,3-10H2,1-2H3,(H,14,17)(H,18,19)/t11-/m0/s1