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

Systemtic Name: (3S)-1-[(2S)-6-azanyl-1-oxidanylidene-1-piperazin-1-yl-hexan-2-yl]-3-butan-2-yl-4-methyl-piperazine-2,5-dione Openeye Name: (3S)-1-[(1S)-5-amino-1-(piperazine-1-carbonyl)pentyl]-4-methyl-3-sec-butyl-piperazine-2,5-dione CAS Name: (3S)-1-[(2S)-6-amino-1-oxo-1-(1-piperazinyl)hexan-2-yl]-3-butan-2-yl-4-methylpiperazine-2,5-dione IUPAC Name: (3S)-1-[(2S)-6-amino-1-oxo-1-piperazin-1-ylhexan-2-yl]-3-butan-2-yl-4-methylpiperazine-2,5-dione Traditional Name: (3S)-1-[(1S)-5-amino-1-(piperazine-1-carbonyl)pentyl]-4-methyl-3-sec-butyl-piperazine-2,5-quinone Formula: C19H35N5O3 MolecularWeight: 381.5129

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1C(=O)N(CC(=O)N1C)C(CCCCN)C(=O)N2CCNCC2

Isomeric SMILES

CCC(C)[C@H]1C(=O)N(CC(=O)N1C)[C@@H](CCCCN)C(=O)N2CCNCC2

InChI

InChI=1S/C19H35N5O3/c1-4-14(2)17-19(27)24(13-16(25)22(17)3)15(7-5-6-8-20)18(26)23-11-9-21-10-12-23/h14-15,17,21H,4-13,20H2,1-3H3/t14?,15-,17-/m0/s1