3-phenylpropyl 5-oxidanylidene-5-[[4-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioylamino]pentanoate

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-[[4-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioylamino]pentanoate Openeye Name: 3-phenylpropyl 5-oxo-5-[[4-(tetrahydrofuran-2-ylmethylcarbamoyl)phenyl]carbamothioylamino]pentanoate CAS Name: 5-oxo-5-[[[4-[oxo-(2-oxolanylmethylamino)methyl]anilino]-sulfanylidenemethyl]amino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-oxo-5-[[4-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioylamino]pentanoate Traditional Name: 5-keto-5-[[4-(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=C(C=C2)NC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

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

InChI

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