bis(phenylmethyl) 2-[[4-oxidanylidene-4-phenylmethoxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanedioate

Systemtic Name: bis(phenylmethyl) 2-[[4-oxidanylidene-4-phenylmethoxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanedioate Openeye Name: dibenzyl 2-[[4-benzyloxy-2-(benzyloxycarbonylamino)-4-oxo-butanoyl]amino]butanedioate CAS Name: 2-[[1,4-dioxo-4-phenylmethoxy-2-(phenylmethoxycarbonylamino)butyl]amino]butanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-[[4-oxo-4-phenylmethoxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanedioate Traditional Name: 2-[[4-benzoxy-2-(benzyloxycarbonylamino)-4-keto-butanoyl]amino]succinic acid dibenzyl ester Formula: C37H36N2O9 MolecularWeight: 652.68974

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CC(C(=O)NC(CC(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CC(C(=O)NC(CC(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C37H36N2O9/c40-33(45-23-27-13-5-1-6-14-27)21-31(39-37(44)48-26-30-19-11-4-12-20-30)35(42)38-32(36(43)47-25-29-17-9-3-10-18-29)22-34(41)46-24-28-15-7-2-8-16-28/h1-20,31-32H,21-26H2,(H,38,42)(H,39,44)