propan-2-yl 2-[[(2S)-2-acetamido-3-methyl-3-nitrososulfanyl-butanoyl]amino]ethanoate

Systemtic Name: propan-2-yl 2-[[(2S)-2-acetamido-3-methyl-3-nitrososulfanyl-butanoyl]amino]ethanoate Openeye Name: isopropyl 2-[[(2S)-2-acetamido-3-methyl-3-nitrososulfanyl-butanoyl]amino]acetate CAS Name: 2-[[(2S)-2-acetamido-3-methyl-3-(nitrosothio)-1-oxobutyl]amino]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[(2S)-2-acetamido-3-methyl-3-nitrososulfanylbutanoyl]amino]acetate Traditional Name: 2-[[(2S)-2-acetamido-3-methyl-3-(nitrosothio)butanoyl]amino]acetic acid isopropyl ester Formula: C12H21N3O5S MolecularWeight: 319.37724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CNC(=O)C(C(C)(C)SN=O)NC(=O)C

Isomeric SMILES

CC(C)OC(=O)CNC(=O)[C@@H](C(C)(C)SN=O)NC(=O)C

InChI

InChI=1S/C12H21N3O5S/c1-7(2)20-9(17)6-13-11(18)10(14-8(3)16)12(4,5)21-15-19/h7,10H,6H2,1-5H3,(H,13,18)(H,14,16)/t10-/m0/s1