2-[[(2R)-2-acetamido-3-(4-nitrophenyl)sulfanyl-propanoyl]amino]ethanoic acid

Systemtic Name: 2-[[(2R)-2-acetamido-3-(4-nitrophenyl)sulfanyl-propanoyl]amino]ethanoic acid Openeye Name: 2-[[(2R)-2-acetamido-3-(4-nitrophenyl)sulfanyl-propanoyl]amino]acetic acid CAS Name: 2-[[(2R)-2-acetamido-3-[(4-nitrophenyl)thio]-1-oxopropyl]amino]acetic acid IUPAC Name: 2-[[(2R)-2-acetamido-3-(4-nitrophenyl)sulfanylpropanoyl]amino]acetic acid Traditional Name: 2-[[(2R)-2-acetamido-3-[(4-nitrophenyl)thio]propanoyl]amino]acetic acid Formula: C13H15N3O6S MolecularWeight: 341.3397

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=C(C=C1)[N+](=O)[O-])C(=O)NCC(=O)O

Isomeric SMILES

CC(=O)N[C@@H](CSC1=CC=C(C=C1)[N+](=O)[O-])C(=O)NCC(=O)O

InChI

InChI=1S/C13H15N3O6S/c1-8(17)15-11(13(20)14-6-12(18)19)7-23-10-4-2-9(3-5-10)16(21)22/h2-5,11H,6-7H2,1H3,(H,14,20)(H,15,17)(H,18,19)/t11-/m0/s1