methyl (2S)-2-[3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[3-[(3,4-dimethoxyphenyl)sulfonylamino]-1-oxopropyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoylamino]-3-phenyl-propionic acid methyl ester Formula: C21H26N2O7S MolecularWeight: 450.50534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)NC(CC2=CC=CC=C2)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC)OC

InChI

InChI=1S/C21H26N2O7S/c1-28-18-10-9-16(14-19(18)29-2)31(26,27)22-12-11-20(24)23-17(21(25)30-3)13-15-7-5-4-6-8-15/h4-10,14,17,22H,11-13H2,1-3H3,(H,23,24)/t17-/m0/s1