methyl 5-(phenylcarbonylcarbamothioylamino)-2-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: methyl 5-(phenylcarbonylcarbamothioylamino)-2-(phenylmethoxycarbonylamino)pentanoate Openeye Name: methyl 5-(benzoylcarbamothioylamino)-2-(benzyloxycarbonylamino)pentanoate CAS Name: 5-[[benzamido(sulfanylidene)methyl]amino]-2-(phenylmethoxycarbonylamino)pentanoic acid methyl ester IUPAC Name: methyl 5-(benzoylcarbamothioylamino)-2-(phenylmethoxycarbonylamino)pentanoate Traditional Name: 5-(benzoylthiocarbamoylamino)-2-(benzyloxycarbonylamino)valeric acid methyl ester Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCNC(=S)NC(=O)C1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C(CCCNC(=S)NC(=O)C1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H25N3O5S/c1-29-20(27)18(24-22(28)30-15-16-9-4-2-5-10-16)13-8-14-23-21(31)25-19(26)17-11-6-3-7-12-17/h2-7,9-12,18H,8,13-15H2,1H3,(H,24,28)(H2,23,25,26,31)