3-phenylpropyl 4-[3-[3-[bis(phenylmethoxycarbonylamino)methylideneamino]propyl]-2-oxidanylidene-4-phenethyl-azetidin-1-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: 3-phenylpropyl 4-[3-[3-[bis(phenylmethoxycarbonylamino)methylideneamino]propyl]-2-oxidanylidene-4-phenethyl-azetidin-1-yl]carbonylpiperazine-1-carboxylate Openeye Name: 3-phenylpropyl 4-[3-[3-[bis(benzyloxycarbonylamino)methyleneamino]propyl]-2-oxo-4-phenethyl-azetidine-1-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[3-[3-[bis(phenylmethoxycarbonylamino)methylideneamino]propyl]-2-oxo-4-phenethyl-1-azetidinyl]-oxomethyl]-1-piperazinecarboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[3-[3-[bis(phenylmethoxycarbonylamino)methylideneamino]propyl]-2-oxo-4-phenethylazetidine-1-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[3-[3-[bis(benzyloxycarbonylamino)methyleneamino]propyl]-2-keto-4-phenethyl-azetidine-1-carbonyl]piperazine-1-carboxylic acid 3-phenylpropyl ester Formula: C46H52N6O8 MolecularWeight: 816.94048

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)N2C(C(C2=O)CCCN=C(NC(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)CCC5=CC=CC=C5)C(=O)OCCCC6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1C(=O)N2C(C(C2=O)CCCN=C(NC(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)CCC5=CC=CC=C5)C(=O)OCCCC6=CC=CC=C6

InChI

InChI=1S/C46H52N6O8/c53-41-39(24-13-27-47-42(48-43(54)59-33-37-19-9-3-10-20-37)49-44(55)60-34-38-21-11-4-12-22-38)40(26-25-36-17-7-2-8-18-36)52(41)45(56)50-28-30-51(31-29-50)46(57)58-32-14-23-35-15-5-1-6-16-35/h1-12,15-22,39-40H,13-14,23-34H2,(H2,47,48,49,54,55)