(phenylmethyl) (2S)-3-(4-oxidanylidene-2-sulfanylidene-1,3-diazinan-5-yl)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: (phenylmethyl) (2S)-3-(4-oxidanylidene-2-sulfanylidene-1,3-diazinan-5-yl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: benzyl (2S)-2-(benzyloxycarbonylamino)-3-(4-oxo-2-thioxo-hexahydropyrimidin-5-yl)propanoate CAS Name: (2S)-3-(4-oxo-2-sulfanylidene-1,3-diazinan-5-yl)-2-(phenylmethoxycarbonylamino)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-3-(4-oxo-2-sulfanylidene-1,3-diazinan-5-yl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-(4-keto-2-thioxo-hexahydropyrimidin-5-yl)propionic acid benzyl ester Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)NC(=S)N1)CC(C(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1C(C(=O)NC(=S)N1)C[C@@H](C(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H23N3O5S/c26-19-17(12-23-21(31)25-19)11-18(20(27)29-13-15-7-3-1-4-8-15)24-22(28)30-14-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H,24,28)(H2,23,25,26,31)/t17?,18-/m0/s1