2-azanyl-9-[bis(azanyl)methylideneamino]-3-oxidanylidene-2-phenylmethoxy-nonanoic acid

Systemtic Name: 2-azanyl-9-[bis(azanyl)methylideneamino]-3-oxidanylidene-2-phenylmethoxy-nonanoic acid Openeye Name: 2-amino-2-benzyloxy-9-guanidino-3-oxo-nonanoic acid CAS Name: 2-amino-9-(diaminomethylideneamino)-3-oxo-2-phenylmethoxynonanoic acid IUPAC Name: 2-amino-9-(diaminomethylideneamino)-3-oxo-2-phenylmethoxynonanoic acid Traditional Name: 2-amino-2-benzoxy-9-guanidino-3-keto-pelargonic acid Formula: C17H26N4O4 MolecularWeight: 350.41274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(C(=O)CCCCCCN=C(N)N)(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)COC(C(=O)CCCCCCN=C(N)N)(C(=O)O)N

InChI

InChI=1S/C17H26N4O4/c18-16(19)21-11-7-2-1-6-10-14(22)17(20,15(23)24)25-12-13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12,20H2,(H,23,24)(H4,18,19,21)