(2S,3S)-2-[3-(4-ethanoylpiperazin-1-yl)propanoylamino]-3-methyl-pentanoic acid

Systemtic Name: (2S,3S)-2-[3-(4-ethanoylpiperazin-1-yl)propanoylamino]-3-methyl-pentanoic acid Openeye Name: (2S,3S)-2-[3-(4-acetylpiperazin-1-yl)propanoylamino]-3-methyl-pentanoic acid CAS Name: (2S,3S)-2-[[3-(4-acetyl-1-piperazinyl)-1-oxopropyl]amino]-3-methylpentanoic acid IUPAC Name: (2S,3S)-2-[3-(4-acetylpiperazin-1-yl)propanoylamino]-3-methylpentanoic acid Traditional Name: (2S,3S)-2-[3-(4-acetylpiperazino)propanoylamino]-3-methyl-valeric acid Formula: C15H27N3O4 MolecularWeight: 313.39258

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)CCN1CCN(CC1)C(=O)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)O)NC(=O)CCN1CCN(CC1)C(=O)C

InChI

InChI=1S/C15H27N3O4/c1-4-11(2)14(15(21)22)16-13(20)5-6-17-7-9-18(10-8-17)12(3)19/h11,14H,4-10H2,1-3H3,(H,16,20)(H,21,22)/t11-,14-/m0/s1