3-phenylpropyl 5-oxidanylidene-5-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioylamino]pentanoate

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioylamino]pentanoate Openeye Name: 3-phenylpropyl 5-oxo-5-[[3-(tetrahydrofuran-2-ylmethylcarbamoyl)phenyl]carbamothioylamino]pentanoate CAS Name: 5-oxo-5-[[[3-[oxo-(2-oxolanylmethylamino)methyl]anilino]-sulfanylidenemethyl]amino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-oxo-5-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioylamino]pentanoate Traditional Name: 5-keto-5-[[3-(tetrahydrofurfurylcarbamoyl)phenyl]thiocarbamoylamino]valeric acid 3-phenylpropyl ester Formula: C27H33N3O5S MolecularWeight: 511.63302

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C2=CC(=CC=C2)NC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

C1CC(OC1)CNC(=O)C2=CC(=CC=C2)NC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C27H33N3O5S/c31-24(14-5-15-25(32)35-17-6-10-20-8-2-1-3-9-20)30-27(36)29-22-12-4-11-21(18-22)26(33)28-19-23-13-7-16-34-23/h1-4,8-9,11-12,18,23H,5-7,10,13-17,19H2,(H,28,33)(H2,29,30,31,36)