(2R,3R)-2-[4-(4-ethanoylpiperazin-1-yl)butanoylamino]-3-methyl-pentanoate

Systemtic Name: (2R,3R)-2-[4-(4-ethanoylpiperazin-1-yl)butanoylamino]-3-methyl-pentanoate Openeye Name: (2R,3R)-2-[4-(4-acetylpiperazin-1-yl)butanoylamino]-3-methyl-pentanoate CAS Name: (2R,3R)-2-[[4-(4-acetyl-1-piperazinyl)-1-oxobutyl]amino]-3-methylpentanoate IUPAC Name: (2R,3R)-2-[4-(4-acetylpiperazin-1-yl)butanoylamino]-3-methylpentanoate Traditional Name: (2R,3R)-2-[4-(4-acetylpiperazino)butanoylamino]-3-methyl-valerate Formula: C16H28N3O4- MolecularWeight: 326.41122

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)CCCN1CCN(CC1)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C16H29N3O4/c1-4-12(2)15(16(22)23)17-14(21)6-5-7-18-8-10-19(11-9-18)13(3)20/h12,15H,4-11H2,1-3H3,(H,17,21)(H,22,23)/p-1/t12-,15-/m1/s1