3-[4-[2-[bis(azanyl)methylideneamino]ethoxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-[4-[2-[bis(azanyl)methylideneamino]ethoxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-[4-(2-guanidinoethoxy)phenyl]propanoic acid CAS Name: 3-[4-[2-(diaminomethylideneamino)ethoxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-[4-[2-(diaminomethylideneamino)ethoxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-[4-(2-guanidinoethoxy)phenyl]propionic acid Formula: C20H24N4O5 MolecularWeight: 400.42836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC2=CC=C(C=C2)OCCN=C(N)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CC2=CC=C(C=C2)OCCN=C(N)N)C(=O)O

InChI

InChI=1S/C20H24N4O5/c21-19(22)23-10-11-28-16-8-6-14(7-9-16)12-17(18(25)26)24-20(27)29-13-15-4-2-1-3-5-15/h1-9,17H,10-13H2,(H,24,27)(H,25,26)(H4,21,22,23)