(2S)-2-[[3-(4-ethanoylpiperazin-1-yl)-2,2-dimethyl-propanoyl]amino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[[3-(4-ethanoylpiperazin-1-yl)-2,2-dimethyl-propanoyl]amino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[3-(4-acetylpiperazin-1-yl)-2,2-dimethyl-propanoyl]amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[3-(4-acetyl-1-piperazinyl)-2,2-dimethyl-1-oxopropyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[3-(4-acetylpiperazin-1-yl)-2,2-dimethylpropanoyl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[3-(4-acetylpiperazino)-2,2-dimethyl-propanoyl]amino]-3-methyl-butyric acid Formula: C16H29N3O4 MolecularWeight: 327.41916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C(C)(C)CN1CCN(CC1)C(=O)C

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC(=O)C(C)(C)CN1CCN(CC1)C(=O)C

InChI

InChI=1S/C16H29N3O4/c1-11(2)13(14(21)22)17-15(23)16(4,5)10-18-6-8-19(9-7-18)12(3)20/h11,13H,6-10H2,1-5H3,(H,17,23)(H,21,22)/t13-/m0/s1