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

Systemtic Name: (2S)-2-[4-(4-ethanoylpiperazin-1-yl)butanoylamino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[4-(4-acetylpiperazin-1-yl)butanoylamino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[4-(4-acetyl-1-piperazinyl)-1-oxobutyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[4-(4-acetylpiperazin-1-yl)butanoylamino]-4-methylpentanoic acid Traditional Name: (2S)-2-[4-(4-acetylpiperazino)butanoylamino]-4-methyl-valeric acid Formula: C16H29N3O4 MolecularWeight: 327.41916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H29N3O4/c1-12(2)11-14(16(22)23)17-15(21)5-4-6-18-7-9-19(10-8-18)13(3)20/h12,14H,4-11H2,1-3H3,(H,17,21)(H,22,23)/t14-/m0/s1