3-[[(2R)-2-acetamidopropanoyl]-[(2-nitrophenyl)sulfanylamino]amino]-N,N-dimethyl-propanamide

Systemtic Name: 3-[[(2R)-2-acetamidopropanoyl]-[(2-nitrophenyl)sulfanylamino]amino]-N,N-dimethyl-propanamide Openeye Name: 3-[[(2R)-2-acetamidopropanoyl]-[(2-nitrophenyl)sulfanylamino]amino]-N,N-dimethyl-propanamide CAS Name: 3-[[(2R)-2-acetamido-1-oxopropyl]-[[(2-nitrophenyl)thio]amino]amino]-N,N-dimethylpropanamide IUPAC Name: 3-[[(2R)-2-acetamidopropanoyl]-[(2-nitrophenyl)sulfanylamino]amino]-N,N-dimethylpropanamide Traditional Name: 3-[[(2R)-2-acetamidopropanoyl]-[[(2-nitrophenyl)thio]amino]amino]-N,N-dimethyl-propionamide Formula: C16H23N5O5S MolecularWeight: 397.44932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC(=O)N(C)C)NSC1=CC=CC=C1[N+](=O)[O-])NC(=O)C

Isomeric SMILES

C[C@H](C(=O)N(CCC(=O)N(C)C)NSC1=CC=CC=C1[N+](=O)[O-])NC(=O)C

InChI

InChI=1S/C16H23N5O5S/c1-11(17-12(2)22)16(24)20(10-9-15(23)19(3)4)18-27-14-8-6-5-7-13(14)21(25)26/h5-8,11,18H,9-10H2,1-4H3,(H,17,22)/t11-/m1/s1