2-[[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]ethanoic acid; 4-nitro-2,1,3-benzoxadiazole

Systemtic Name: 2-[[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]ethanoic acid; 4-nitro-2,1,3-benzoxadiazole Openeye Name: 2-[[(2R)-2-amino-3-sulfanyl-propanoyl]amino]acetic acid; 4-nitro-2,1,3-benzoxadiazole CAS Name: 2-[[(2R)-2-amino-3-mercapto-1-oxopropyl]amino]acetic acid; 4-nitro-2,1,3-benzoxadiazole IUPAC Name: 2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]acetic acid; 4-nitro-2,1,3-benzoxadiazole Traditional Name: 2-[[(2R)-2-amino-3-mercapto-propanoyl]amino]acetic acid; 4-nitrobenzofurazan Formula: C11H13N5O6S MolecularWeight: 343.31582

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NON=C2C(=C1)[N+](=O)[O-].C(C(C(=O)NCC(=O)O)N)S

Isomeric SMILES

C1=CC2=NON=C2C(=C1)[N+](=O)[O-].C([C@@H](C(=O)NCC(=O)O)N)S

InChI

InChI=1S/C6H3N3O3.C5H10N2O3S/c10-9(11)5-3-1-2-4-6(5)8-12-7-4;6-3(2-11)5(10)7-1-4(8)9/h1-3H;3,11H,1-2,6H2,(H,7,10)(H,8,9)/t;3-/m.0/s1