2-(2-azanylpropanoyl)-1-[3-(2,3-dihydro-1H-inden-2-ylsulfanyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]pyrrolidine-2-carboxylic acid

Systemtic Name: 2-(2-azanylpropanoyl)-1-[3-(2,3-dihydro-1H-inden-2-ylsulfanyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]pyrrolidine-2-carboxylic acid Openeye Name: 2-(2-aminopropanoyl)-1-[2-hydroxy-1-(indan-2-ylsulfanylmethyl)-2-oxo-ethyl]pyrrolidine-2-carboxylic acid CAS Name: 2-(2-amino-1-oxopropyl)-1-[3-(2,3-dihydro-1H-inden-2-ylthio)-1-hydroxy-1-oxopropan-2-yl]-2-pyrrolidinecarboxylic acid IUPAC Name: 2-(2-aminopropanoyl)-1-[3-(2,3-dihydro-1H-inden-2-ylsulfanyl)-1-hydroxy-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid Traditional Name: 2-alanyl-1-[2-hydroxy-1-[(indan-2-ylthio)methyl]-2-keto-ethyl]proline Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1(CCCN1C(CSC2CC3=CC=CC=C3C2)C(=O)O)C(=O)O)N

Isomeric SMILES

CC(C(=O)C1(CCCN1C(CSC2CC3=CC=CC=C3C2)C(=O)O)C(=O)O)N

InChI

InChI=1S/C20H26N2O5S/c1-12(21)17(23)20(19(26)27)7-4-8-22(20)16(18(24)25)11-28-15-9-13-5-2-3-6-14(13)10-15/h2-3,5-6,12,15-16H,4,7-11,21H2,1H3,(H,24,25)(H,26,27)