[5-[(2-azanyl-3-phenyl-propanoyl)oxymethyl]-2-(2-oxidanylideneethyl)-1,3-dithiolan-4-yl]methyl 2-azanyl-3-phenyl-propanoate

Systemtic Name: [5-[(2-azanyl-3-phenyl-propanoyl)oxymethyl]-2-(2-oxidanylideneethyl)-1,3-dithiolan-4-yl]methyl 2-azanyl-3-phenyl-propanoate Openeye Name: [5-[(2-amino-3-phenyl-propanoyl)oxymethyl]-2-(2-oxoethyl)-1,3-dithiolan-4-yl]methyl 2-amino-3-phenyl-propanoate CAS Name: 2-amino-3-phenylpropanoic acid [5-[(2-amino-1-oxo-3-phenylpropoxy)methyl]-2-(2-oxoethyl)-1,3-dithiolan-4-yl]methyl ester IUPAC Name: [5-[(2-amino-3-phenylpropanoyl)oxymethyl]-2-(2-oxoethyl)-1,3-dithiolan-4-yl]methyl 2-amino-3-phenylpropanoate Traditional Name: 2-amino-3-phenyl-propionic acid [2-(2-ketoethyl)-5-(phenylalanyloxymethyl)-1,3-dithiolan-4-yl]methyl ester Formula: C25H30N2O5S2 MolecularWeight: 502.6461

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC2C(SC(S2)CC=O)COC(=O)C(CC3=CC=CC=C3)N)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)OCC2C(SC(S2)CC=O)COC(=O)C(CC3=CC=CC=C3)N)N

InChI

InChI=1S/C25H30N2O5S2/c26-19(13-17-7-3-1-4-8-17)24(29)31-15-21-22(34-23(33-21)11-12-28)16-32-25(30)20(27)14-18-9-5-2-6-10-18/h1-10,12,19-23H,11,13-16,26-27H2