6-[6-azanylidene-7,7-dimethyl-3-(4-oxidanyl-4-oxidanylidene-butyl)-3,4-dihydro-1,2,5-triazepin-5-yl]hexanoic acid

Systemtic Name: 6-[6-azanylidene-7,7-dimethyl-3-(4-oxidanyl-4-oxidanylidene-butyl)-3,4-dihydro-1,2,5-triazepin-5-yl]hexanoic acid Openeye Name: 6-[3-(4-hydroxy-4-oxo-butyl)-6-imino-7,7-dimethyl-3,4-dihydro-1,2,5-triazepin-5-yl]hexanoic acid CAS Name: 6-[3-(4-hydroxy-4-oxobutyl)-6-imino-7,7-dimethyl-3,4-dihydro-1,2,5-triazepin-5-yl]hexanoic acid IUPAC Name: 6-[3-(4-hydroxy-4-oxobutyl)-6-imino-7,7-dimethyl-3,4-dihydro-1,2,5-triazepin-5-yl]hexanoic acid Traditional Name: 6-[3-(4-hydroxy-4-keto-butyl)-6-imino-7,7-dimethyl-3,4-dihydro-1,2,5-triazepin-5-yl]hexanoic acid Formula: C16H28N4O4 MolecularWeight: 340.41792

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=N)N(CC(N=N1)CCCC(=O)O)CCCCCC(=O)O)C

Isomeric SMILES

CC1(C(=N)N(CC(N=N1)CCCC(=O)O)CCCCCC(=O)O)C

InChI

InChI=1S/C16H28N4O4/c1-16(2)15(17)20(10-5-3-4-8-13(21)22)11-12(18-19-16)7-6-9-14(23)24/h12,17H,3-11H2,1-2H3,(H,21,22)(H,23,24)