methyl 3-(1H-indol-3-yl)-2-[[2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoyl]amino]propanoate

Systemtic Name: methyl 3-(1H-indol-3-yl)-2-[[2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoyl]amino]propanoate Openeye Name: methyl 3-(1H-indol-3-yl)-2-[[3-phenyl-2-(p-tolylsulfonylamino)propanoyl]amino]propanoate CAS Name: 3-(1H-indol-3-yl)-2-[[2-[(4-methylphenyl)sulfonylamino]-1-oxo-3-phenylpropyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(1H-indol-3-yl)-2-[[2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl]amino]propanoate Traditional Name: 3-(1H-indol-3-yl)-2-[[3-phenyl-2-(tosylamino)propanoyl]amino]propionic acid methyl ester Formula: C28H29N3O5S MolecularWeight: 519.61196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)OC

InChI

InChI=1S/C28H29N3O5S/c1-19-12-14-22(15-13-19)37(34,35)31-25(16-20-8-4-3-5-9-20)27(32)30-26(28(33)36-2)17-21-18-29-24-11-7-6-10-23(21)24/h3-15,18,25-26,29,31H,16-17H2,1-2H3,(H,30,32)