methyl (2S)-2-[[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbonylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl (2S)-2-[[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbonylamino]-3-oxidanyl-propanoate Openeye Name: methyl (2S)-3-hydroxy-2-[(3-indolin-1-ylsulfonylbenzoyl)amino]propanoate CAS Name: (2S)-2-[[[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-oxomethyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]-3-hydroxypropanoate Traditional Name: (2S)-3-hydroxy-2-[(3-indolin-1-ylsulfonylbenzoyl)amino]propionic acid methyl ester Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC3=CC=CC=C32

Isomeric SMILES

COC(=O)[C@H](CO)NC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC3=CC=CC=C32

InChI

InChI=1S/C19H20N2O6S/c1-27-19(24)16(12-22)20-18(23)14-6-4-7-15(11-14)28(25,26)21-10-9-13-5-2-3-8-17(13)21/h2-8,11,16,22H,9-10,12H2,1H3,(H,20,23)/t16-/m0/s1