1-[6-azanyl-2-[(1-oxidanyl-1-oxidanylidene-3-phenylsulfanyl-propan-2-yl)amino]hexanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[6-azanyl-2-[(1-oxidanyl-1-oxidanylidene-3-phenylsulfanyl-propan-2-yl)amino]hexanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[6-amino-2-[[2-hydroxy-2-oxo-1-(phenylsulfanylmethyl)ethyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[6-amino-2-[[1-hydroxy-1-oxo-3-(phenylthio)propan-2-yl]amino]-1-oxohexyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[6-amino-2-[(1-hydroxy-1-oxo-3-phenylsulfanylpropan-2-yl)amino]hexanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[6-amino-2-[[2-hydroxy-2-keto-1-[(phenylthio)methyl]ethyl]amino]hexanoyl]proline Formula: C20H29N3O5S MolecularWeight: 423.52636

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CCCCN)NC(CSC2=CC=CC=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CCCCN)NC(CSC2=CC=CC=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C20H29N3O5S/c21-11-5-4-9-15(18(24)23-12-6-10-17(23)20(27)28)22-16(19(25)26)13-29-14-7-2-1-3-8-14/h1-3,7-8,15-17,22H,4-6,9-13,21H2,(H,25,26)(H,27,28)