3-[4-[bis(phenylmethoxycarbonylamino)methylideneamino]butyl]-4-oxidanylidene-azetidine-2-carboxylic acid

Systemtic Name: 3-[4-[bis(phenylmethoxycarbonylamino)methylideneamino]butyl]-4-oxidanylidene-azetidine-2-carboxylic acid Openeye Name: 3-[4-[bis(benzyloxycarbonylamino)methyleneamino]butyl]-4-oxo-azetidine-2-carboxylic acid CAS Name: 3-[4-[bis(phenylmethoxycarbonylamino)methylideneamino]butyl]-4-oxo-2-azetidinecarboxylic acid IUPAC Name: 3-[4-[bis(phenylmethoxycarbonylamino)methylideneamino]butyl]-4-oxoazetidine-2-carboxylic acid Traditional Name: 3-[4-[bis(benzyloxycarbonylamino)methyleneamino]butyl]-4-keto-azetidine-2-carboxylic acid Formula: C25H28N4O7 MolecularWeight: 496.51242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(=NCCCCC2C(NC2=O)C(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(=NCCCCC2C(NC2=O)C(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H28N4O7/c30-21-19(20(27-21)22(31)32)13-7-8-14-26-23(28-24(33)35-15-17-9-3-1-4-10-17)29-25(34)36-16-18-11-5-2-6-12-18/h1-6,9-12,19-20H,7-8,13-16H2,(H,27,30)(H,31,32)(H2,26,28,29,33,34)