methyl (2R)-3-(5-acetamido-2-phenylmethoxy-phenyl)sulfanyl-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: methyl (2R)-3-(5-acetamido-2-phenylmethoxy-phenyl)sulfanyl-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl (2R)-3-(5-acetamido-2-benzyloxy-phenyl)sulfanyl-2-(benzyloxycarbonylamino)propanoate CAS Name: (2R)-3-[(5-acetamido-2-phenylmethoxyphenyl)thio]-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl (2R)-3-(5-acetamido-2-phenylmethoxyphenyl)sulfanyl-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2R)-3-[(5-acetamido-2-benzoxy-phenyl)thio]-2-(benzyloxycarbonylamino)propionic acid methyl ester Formula: C27H28N2O6S MolecularWeight: 508.58602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)OCC2=CC=CC=C2)SCC(C(=O)OC)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)OCC2=CC=CC=C2)SC[C@@H](C(=O)OC)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H28N2O6S/c1-19(30)28-22-13-14-24(34-16-20-9-5-3-6-10-20)25(15-22)36-18-23(26(31)33-2)29-27(32)35-17-21-11-7-4-8-12-21/h3-15,23H,16-18H2,1-2H3,(H,28,30)(H,29,32)/t23-/m0/s1