(phenylmethyl) (2S)-2-[[methyl-(3-morpholin-4-yl-3-oxidanylidene-propyl)carbamoyl]amino]-3-phenyl-propanoate

Systemtic Name: (phenylmethyl) (2S)-2-[[methyl-(3-morpholin-4-yl-3-oxidanylidene-propyl)carbamoyl]amino]-3-phenyl-propanoate Openeye Name: benzyl (2S)-2-[[methyl-(3-morpholino-3-oxo-propyl)carbamoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[methyl-[3-(4-morpholinyl)-3-oxopropyl]amino]-oxomethyl]amino]-3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[methyl-(3-morpholin-4-yl-3-oxopropyl)carbamoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(3-keto-3-morpholino-propyl)-methyl-carbamoyl]amino]-3-phenyl-propionic acid benzyl ester Formula: C25H31N3O5 MolecularWeight: 453.53074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(=O)N1CCOCC1)C(=O)NC(CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CN(CCC(=O)N1CCOCC1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H31N3O5/c1-27(13-12-23(29)28-14-16-32-17-15-28)25(31)26-22(18-20-8-4-2-5-9-20)24(30)33-19-21-10-6-3-7-11-21/h2-11,22H,12-19H2,1H3,(H,26,31)/t22-/m0/s1