2-azanyl-3-[4-[4-[bis(azanyl)methylideneamino]-4-oxidanylidene-butoxy]phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[4-[4-[bis(azanyl)methylideneamino]-4-oxidanylidene-butoxy]phenyl]propanoic acid Openeye Name: 2-amino-3-[4-(4-guanidino-4-oxo-butoxy)phenyl]propanoic acid CAS Name: 2-amino-3-[4-[4-(diaminomethylideneamino)-4-oxobutoxy]phenyl]propanoic acid IUPAC Name: 2-amino-3-[4-[4-(diaminomethylideneamino)-4-oxobutoxy]phenyl]propanoic acid Traditional Name: 2-amino-3-[4-(4-guanidino-4-keto-butoxy)phenyl]propionic acid Formula: C14H20N4O4 MolecularWeight: 308.333

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)N)OCCCC(=O)N=C(N)N

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)N)OCCCC(=O)N=C(N)N

InChI

InChI=1S/C14H20N4O4/c15-11(13(20)21)8-9-3-5-10(6-4-9)22-7-1-2-12(19)18-14(16)17/h3-6,11H,1-2,7-8,15H2,(H,20,21)(H4,16,17,18,19)