1-(2-azanyl-3-phenyl-propanoyl)-3-oxidanylidene-2-propan-2-ylsulfanyl-aziridine-2-carboxylic acid

Systemtic Name: 1-(2-azanyl-3-phenyl-propanoyl)-3-oxidanylidene-2-propan-2-ylsulfanyl-aziridine-2-carboxylic acid Openeye Name: 1-(2-amino-3-phenyl-propanoyl)-2-isopropylsulfanyl-3-oxo-aziridine-2-carboxylic acid CAS Name: 1-(2-amino-1-oxo-3-phenylpropyl)-3-oxo-2-(propan-2-ylthio)-2-aziridinecarboxylic acid IUPAC Name: 1-(2-amino-3-phenylpropanoyl)-3-oxo-2-propan-2-ylsulfanylaziridine-2-carboxylic acid Traditional Name: 2-(isopropylthio)-3-keto-1-phenylalanyl-ethylenimine-2-carboxylic acid Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1(C(=O)N1C(=O)C(CC2=CC=CC=C2)N)C(=O)O

Isomeric SMILES

CC(C)SC1(C(=O)N1C(=O)C(CC2=CC=CC=C2)N)C(=O)O

InChI

InChI=1S/C15H18N2O4S/c1-9(2)22-15(14(20)21)13(19)17(15)12(18)11(16)8-10-6-4-3-5-7-10/h3-7,9,11H,8,16H2,1-2H3,(H,20,21)