3-sulfanylpropyl 2-(2,3-dihydro-1H-inden-2-ylcarbonylamino)-3-(1H-indol-3-yl)propanoate

Systemtic Name: 3-sulfanylpropyl 2-(2,3-dihydro-1H-inden-2-ylcarbonylamino)-3-(1H-indol-3-yl)propanoate Openeye Name: 3-sulfanylpropyl 2-(indane-2-carbonylamino)-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[2,3-dihydro-1H-inden-2-yl(oxo)methyl]amino]-3-(1H-indol-3-yl)propanoic acid 3-mercaptopropyl ester IUPAC Name: 3-sulfanylpropyl 2-(2,3-dihydro-1H-indene-2-carbonylamino)-3-(1H-indol-3-yl)propanoate Traditional Name: 2-(indane-2-carbonylamino)-3-(1H-indol-3-yl)propionic acid 3-mercaptopropyl ester Formula: C24H26N2O3S MolecularWeight: 422.53984

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC2=CC=CC=C21)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)OCCCS

Isomeric SMILES

C1C(CC2=CC=CC=C21)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)OCCCS

InChI

InChI=1S/C24H26N2O3S/c27-23(18-12-16-6-1-2-7-17(16)13-18)26-22(24(28)29-10-5-11-30)14-19-15-25-21-9-4-3-8-20(19)21/h1-4,6-9,15,18,22,25,30H,5,10-14H2,(H,26,27)