3-phenylpropyl 5-oxidanylidene-5-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamothioylamino]pentanoate

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamothioylamino]pentanoate Openeye Name: 3-phenylpropyl 5-oxo-5-[[2-[[(2R)-tetrahydrofuran-2-yl]methylcarbamoyl]phenyl]carbamothioylamino]pentanoate CAS Name: 5-oxo-5-[[[2-[oxo-[[(2R)-2-oxolanyl]methylamino]methyl]anilino]-sulfanylidenemethyl]amino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-oxo-5-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamothioylamino]pentanoate Traditional Name: 5-keto-5-[[2-[[(2R)-tetrahydrofuran-2-yl]methylcarbamoyl]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=C2NC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](OC1)CNC(=O)C2=CC=CC=C2NC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C27H33N3O5S/c31-24(15-6-16-25(32)35-18-7-11-20-9-2-1-3-10-20)30-27(36)29-23-14-5-4-13-22(23)26(33)28-19-21-12-8-17-34-21/h1-5,9-10,13-14,21H,6-8,11-12,15-19H2,(H,28,33)(H2,29,30,31,36)/t21-/m1/s1