(2S)-2-[[(2S)-2-(4-methylpiperazin-1-yl)propanoyl]amino]-4-methylsulfanyl-butanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCSC)C(=O)O)N1CCN(CC1)C

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CCSC)C(=O)O)N1CCN(CC1)C

InChI

InChI=1S/C13H25N3O3S/c1-10(16-7-5-15(2)6-8-16)12(17)14-11(13(18)19)4-9-20-3/h10-11H,4-9H2,1-3H3,(H,14,17)(H,18,19)/t10-,11-/m0/s1