4-[6-azanylidene-3-(carboxymethyl)-7,7-dimethyl-3,4-dihydro-1,2,5-triazepin-5-yl]butanoic acid

Systemtic Name: 4-[6-azanylidene-3-(carboxymethyl)-7,7-dimethyl-3,4-dihydro-1,2,5-triazepin-5-yl]butanoic acid Openeye Name: 4-[3-(carboxymethyl)-6-imino-7,7-dimethyl-3,4-dihydro-1,2,5-triazepin-5-yl]butanoic acid CAS Name: 4-[3-(carboxymethyl)-6-imino-7,7-dimethyl-3,4-dihydro-1,2,5-triazepin-5-yl]butanoic acid IUPAC Name: 4-[3-(carboxymethyl)-6-imino-7,7-dimethyl-3,4-dihydro-1,2,5-triazepin-5-yl]butanoic acid Traditional Name: 4-[3-(carboxymethyl)-6-imino-7,7-dimethyl-3,4-dihydro-1,2,5-triazepin-5-yl]butyric acid Formula: C12H20N4O4 MolecularWeight: 284.3116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20N4O4/c1-12(2)11(13)16(5-3-4-9(17)18)7-8(14-15-12)6-10(19)20/h8,13H,3-7H2,1-2H3,(H,17,18)(H,19,20)