3-[(4-aminocarbonyl-2-nitro-phenyl)methylsulfanyl]-2-azanyl-propanoic acid

Systemtic Name: 3-[(4-aminocarbonyl-2-nitro-phenyl)methylsulfanyl]-2-azanyl-propanoic acid Openeye Name: 2-amino-3-[(4-carbamoyl-2-nitro-phenyl)methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[(4-carbamoyl-2-nitrophenyl)methylthio]propanoic acid IUPAC Name: 2-amino-3-[(4-carbamoyl-2-nitrophenyl)methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[(4-carbamoyl-2-nitro-benzyl)thio]propionic acid Formula: C11H13N3O5S MolecularWeight: 299.30302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])CSCC(C(=O)O)N

Isomeric SMILES

C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])CSCC(C(=O)O)N

InChI

InChI=1S/C11H13N3O5S/c12-8(11(16)17)5-20-4-7-2-1-6(10(13)15)3-9(7)14(18)19/h1-3,8H,4-5,12H2,(H2,13,15)(H,16,17)