2-[2-(3-nitropropanoylamino)ethanoylamino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[2-(3-nitropropanoylamino)ethanoylamino]-3-sulfanyl-propanoic acid Openeye Name: 2-[[2-(3-nitropropanoylamino)acetyl]amino]-3-sulfanyl-propanoic acid CAS Name: 3-mercapto-2-[[2-[(3-nitro-1-oxopropyl)amino]-1-oxoethyl]amino]propanoic acid IUPAC Name: 2-[[2-(3-nitropropanoylamino)acetyl]amino]-3-sulfanylpropanoic acid Traditional Name: 3-mercapto-2-[[2-(3-nitropropanoylamino)acetyl]amino]propionic acid Formula: C8H13N3O6S MolecularWeight: 279.27032

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Descriptors Computed from Structure

Canonical SMILES:

C(C[N+](=O)[O-])C(=O)NCC(=O)NC(CS)C(=O)O

Isomeric SMILES

C(C[N+](=O)[O-])C(=O)NCC(=O)NC(CS)C(=O)O

InChI

InChI=1S/C8H13N3O6S/c12-6(1-2-11(16)17)9-3-7(13)10-5(4-18)8(14)15/h5,18H,1-4H2,(H,9,12)(H,10,13)(H,14,15)