(3S)-5-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]amino]-3-methyl-5-oxidanylidene-pentanoic acid

Systemtic Name: (3S)-5-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]amino]-3-methyl-5-oxidanylidene-pentanoic acid Openeye Name: (3S)-5-(4-indolin-1-ylsulfonylanilino)-3-methyl-5-oxo-pentanoic acid CAS Name: (3S)-5-[4-(2,3-dihydroindol-1-ylsulfonyl)anilino]-3-methyl-5-oxopentanoic acid IUPAC Name: (3S)-5-[4-(2,3-dihydroindol-1-ylsulfonyl)anilino]-3-methyl-5-oxopentanoic acid Traditional Name: (3S)-5-(4-indolin-1-ylsulfonylanilino)-5-keto-3-methyl-valeric acid Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C32)CC(=O)O

Isomeric SMILES

C[C@@H](CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C32)CC(=O)O

InChI

InChI=1S/C20H22N2O5S/c1-14(13-20(24)25)12-19(23)21-16-6-8-17(9-7-16)28(26,27)22-11-10-15-4-2-3-5-18(15)22/h2-9,14H,10-13H2,1H3,(H,21,23)(H,24,25)/t14-/m0/s1