(phenylmethyl) (2S)-1-(5-benzamido-4-oxidanylidene-6-pyridin-3-yl-hexanoyl)pyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) (2S)-1-(5-benzamido-4-oxidanylidene-6-pyridin-3-yl-hexanoyl)pyrrolidine-2-carboxylate Openeye Name: benzyl (2S)-1-[5-benzamido-4-oxo-6-(3-pyridyl)hexanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[5-benzamido-1,4-dioxo-6-(3-pyridinyl)hexyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-1-(5-benzamido-4-oxo-6-pyridin-3-ylhexanoyl)pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[5-benzamido-4-keto-6-(3-pyridyl)hexanoyl]pyrrolidine-2-carboxylic acid benzyl ester Formula: C30H31N3O5 MolecularWeight: 513.58424

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCC(=O)C(CC2=CN=CC=C2)NC(=O)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CCC(=O)C(CC2=CN=CC=C2)NC(=O)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C30H31N3O5/c34-27(25(19-23-11-7-17-31-20-23)32-29(36)24-12-5-2-6-13-24)15-16-28(35)33-18-8-14-26(33)30(37)38-21-22-9-3-1-4-10-22/h1-7,9-13,17,20,25-26H,8,14-16,18-19,21H2,(H,32,36)/t25?,26-/m0/s1