tert-butyl (2S)-1-[5-benzamido-4-oxidanylidene-6-(4-phenylmethoxyphenyl)hexanoyl]pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl (2S)-1-[5-benzamido-4-oxidanylidene-6-(4-phenylmethoxyphenyl)hexanoyl]pyrrolidine-2-carboxylate Openeye Name: tert-butyl (2S)-1-[5-benzamido-6-(4-benzyloxyphenyl)-4-oxo-hexanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[5-benzamido-1,4-dioxo-6-(4-phenylmethoxyphenyl)hexyl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-1-[5-benzamido-4-oxo-6-(4-phenylmethoxyphenyl)hexanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[5-benzamido-6-(4-benzoxyphenyl)-4-keto-hexanoyl]pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C35H40N2O6 MolecularWeight: 584.7019

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCCN1C(=O)CCC(=O)C(CC2=CC=C(C=C2)OCC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)CCC(=O)C(CC2=CC=C(C=C2)OCC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C35H40N2O6/c1-35(2,3)43-34(41)30-15-10-22-37(30)32(39)21-20-31(38)29(36-33(40)27-13-8-5-9-14-27)23-25-16-18-28(19-17-25)42-24-26-11-6-4-7-12-26/h4-9,11-14,16-19,29-30H,10,15,20-24H2,1-3H3,(H,36,40)/t29?,30-/m0/s1