tert-butyl 2-[[(2S)-2-acetamido-3-methyl-3-nitrososulfanyl-butanoyl]amino]ethanoate

Systemtic Name: tert-butyl 2-[[(2S)-2-acetamido-3-methyl-3-nitrososulfanyl-butanoyl]amino]ethanoate Openeye Name: tert-butyl 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 tert-butyl ester IUPAC Name: tert-butyl 2-[[(2S)-2-acetamido-3-methyl-3-nitrososulfanylbutanoyl]amino]acetate Traditional Name: 2-[[(2S)-2-acetamido-3-methyl-3-(nitrosothio)butanoyl]amino]acetic acid tert-butyl ester Formula: C13H23N3O5S MolecularWeight: 333.40382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)N[C@@H](C(=O)NCC(=O)OC(C)(C)C)C(C)(C)SN=O

InChI

InChI=1S/C13H23N3O5S/c1-8(17)15-10(13(5,6)22-16-20)11(19)14-7-9(18)21-12(2,3)4/h10H,7H2,1-6H3,(H,14,19)(H,15,17)/t10-/m0/s1