methyl (2R)-2-[3-[(3-ethanoylphenyl)sulfonylamino]propanoylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl (2R)-2-[3-[(3-ethanoylphenyl)sulfonylamino]propanoylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2R)-2-[3-[(3-acetylphenyl)sulfonylamino]propanoylamino]-3-(1H-indol-3-yl)propanoate CAS Name: (2R)-2-[[3-[(3-acetylphenyl)sulfonylamino]-1-oxopropyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[3-[(3-acetylphenyl)sulfonylamino]propanoylamino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2R)-2-[3-[(3-acetylphenyl)sulfonylamino]propanoylamino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C23H25N3O6S MolecularWeight: 471.5261

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)NCCC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)NCCC(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C23H25N3O6S/c1-15(27)16-6-5-7-18(12-16)33(30,31)25-11-10-22(28)26-21(23(29)32-2)13-17-14-24-20-9-4-3-8-19(17)20/h3-9,12,14,21,24-25H,10-11,13H2,1-2H3,(H,26,28)/t21-/m1/s1