(3S)-1-[(2S)-6-azanyl-1-oxidanylidene-1-piperidin-4-yl-hexan-2-yl]-3-butan-2-yl-4-methyl-piperazine-2,5-dione

Systemtic Name: (3S)-1-[(2S)-6-azanyl-1-oxidanylidene-1-piperidin-4-yl-hexan-2-yl]-3-butan-2-yl-4-methyl-piperazine-2,5-dione Openeye Name: (3S)-1-[(1S)-5-amino-1-(piperidine-4-carbonyl)pentyl]-4-methyl-3-sec-butyl-piperazine-2,5-dione CAS Name: (3S)-1-[(2S)-6-amino-1-oxo-1-(4-piperidinyl)hexan-2-yl]-3-butan-2-yl-4-methylpiperazine-2,5-dione IUPAC Name: (3S)-1-[(2S)-6-amino-1-oxo-1-piperidin-4-ylhexan-2-yl]-3-butan-2-yl-4-methylpiperazine-2,5-dione Traditional Name: (3S)-1-[(1S)-5-amino-1-isonipecotoyl-pentyl]-4-methyl-3-sec-butyl-piperazine-2,5-quinone Formula: C20H36N4O3 MolecularWeight: 380.52484

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1C(=O)N(CC(=O)N1C)C(CCCCN)C(=O)C2CCNCC2

Isomeric SMILES

CCC(C)[C@H]1C(=O)N(CC(=O)N1C)[C@@H](CCCCN)C(=O)C2CCNCC2

InChI

InChI=1S/C20H36N4O3/c1-4-14(2)18-20(27)24(13-17(25)23(18)3)16(7-5-6-10-21)19(26)15-8-11-22-12-9-15/h14-16,18,22H,4-13,21H2,1-3H3/t14?,16-,18-/m0/s1