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

Systemtic Name: 3-[4-[4-[bis(azanyl)methylideneamino]-4-oxidanylidene-butoxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-[4-(4-guanidino-4-oxo-butoxy)phenyl]propanoic acid CAS Name: 3-[4-[4-(diaminomethylideneamino)-4-oxobutoxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-[4-[4-(diaminomethylideneamino)-4-oxobutoxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-[4-(4-guanidino-4-keto-butoxy)phenyl]propionic acid Formula: C22H26N4O6 MolecularWeight: 442.46504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O6/c23-21(24)26-19(27)7-4-12-31-17-10-8-15(9-11-17)13-18(20(28)29)25-22(30)32-14-16-5-2-1-3-6-16/h1-3,5-6,8-11,18H,4,7,12-14H2,(H,25,30)(H,28,29)(H4,23,24,26,27)