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

Systemtic Name: 3-[4-[4-[bis(azanyl)methylideneamino]butyl]phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-[4-(4-guanidinobutyl)phenyl]propanoic acid CAS Name: 3-[4-[4-(diaminomethylideneamino)butyl]phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-[4-[4-(diaminomethylideneamino)butyl]phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-[4-(4-guanidinobutyl)phenyl]propionic acid Formula: C22H28N4O4 MolecularWeight: 412.48212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O4/c23-21(24)25-13-5-4-6-16-9-11-17(12-10-16)14-19(20(27)28)26-22(29)30-15-18-7-2-1-3-8-18/h1-3,7-12,19H,4-6,13-15H2,(H,26,29)(H,27,28)(H4,23,24,25)