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

Systemtic Name: methyl (2R)-3-(1H-indol-3-yl)-2-[3-(phenylsulfonylamino)propanoylamino]propanoate Openeye Name: methyl (2R)-2-[3-(benzenesulfonamido)propanoylamino]-3-(1H-indol-3-yl)propanoate CAS Name: (2R)-2-[[3-(benzenesulfonamido)-1-oxopropyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[3-(benzenesulfonamido)propanoylamino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2R)-2-[3-(benzenesulfonamido)propanoylamino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)CCNS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)CCNS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O5S/c1-29-21(26)19(13-15-14-22-18-10-6-5-9-17(15)18)24-20(25)11-12-23-30(27,28)16-7-3-2-4-8-16/h2-10,14,19,22-23H,11-13H2,1H3,(H,24,25)/t19-/m1/s1