2-azanyl-6-[[2-[(5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl)iminomethyl]phenyl]methylideneamino]hexanoic acid

Systemtic Name: 2-azanyl-6-[[2-[(5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl)iminomethyl]phenyl]methylideneamino]hexanoic acid Openeye Name: 2-amino-6-[[2-[(5-amino-6-hydroxy-6-oxo-hexyl)iminomethyl]phenyl]methyleneamino]hexanoic acid CAS Name: 2-amino-6-[[2-[(5-amino-6-hydroxy-6-oxohexyl)iminomethyl]phenyl]methylideneamino]hexanoic acid IUPAC Name: 2-amino-6-[[2-[(5-amino-6-hydroxy-6-oxohexyl)iminomethyl]phenyl]methylideneamino]hexanoic acid Traditional Name: 2-amino-6-[[2-[(5-amino-6-hydroxy-6-keto-hexyl)iminomethyl]benzylidene]amino]hexanoic acid Formula: C20H30N4O4 MolecularWeight: 390.4766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=NCCCCC(C(=O)O)N)C=NCCCCC(C(=O)O)N

Isomeric SMILES

C1=CC=C(C(=C1)C=NCCCCC(C(=O)O)N)C=NCCCCC(C(=O)O)N

InChI

InChI=1S/C20H30N4O4/c21-17(19(25)26)9-3-5-11-23-13-15-7-1-2-8-16(15)14-24-12-6-4-10-18(22)20(27)28/h1-2,7-8,13-14,17-18H,3-6,9-12,21-22H2,(H,25,26)(H,27,28)