tert-butyl 1-[3-[2-azanyl-3-[2-(phenylcarbonyl)phenyl]propanoyl]sulfanylpropyl]pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl 1-[3-[2-azanyl-3-[2-(phenylcarbonyl)phenyl]propanoyl]sulfanylpropyl]pyrrolidine-2-carboxylate Openeye Name: tert-butyl 1-[3-[2-amino-3-(2-benzoylphenyl)propanoyl]sulfanylpropyl]pyrrolidine-2-carboxylate CAS Name: 1-[3-[[2-amino-3-(2-benzoylphenyl)-1-oxopropyl]thio]propyl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[3-[2-amino-3-(2-benzoylphenyl)propanoyl]sulfanylpropyl]pyrrolidine-2-carboxylate Traditional Name: 1-[3-[[2-amino-3-(2-benzoylphenyl)propanoyl]thio]propyl]pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C28H36N2O4S MolecularWeight: 496.66144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCCN1CCCSC(=O)C(CC2=CC=CC=C2C(=O)C3=CC=CC=C3)N

Isomeric SMILES

CC(C)(C)OC(=O)C1CCCN1CCCSC(=O)C(CC2=CC=CC=C2C(=O)C3=CC=CC=C3)N

InChI

InChI=1S/C28H36N2O4S/c1-28(2,3)34-26(32)24-15-9-16-30(24)17-10-18-35-27(33)23(29)19-21-13-7-8-14-22(21)25(31)20-11-5-4-6-12-20/h4-8,11-14,23-24H,9-10,15-19,29H2,1-3H3