2-(6-methoxynaphthalen-2-yl)-2-methyl-3-[(2S,5S)-5-(2-nitrososulfanylpropan-2-yl)-3,6-bis(oxidanylidene)piperazin-2-yl]propanoic acid

Systemtic Name: 2-(6-methoxynaphthalen-2-yl)-2-methyl-3-[(2S,5S)-5-(2-nitrososulfanylpropan-2-yl)-3,6-bis(oxidanylidene)piperazin-2-yl]propanoic acid Openeye Name: 2-(6-methoxy-2-naphthyl)-2-methyl-3-[(2S,5S)-5-(1-methyl-1-nitrososulfanyl-ethyl)-3,6-dioxo-piperazin-2-yl]propanoic acid CAS Name: 2-(6-methoxy-2-naphthalenyl)-2-methyl-3-[(2S,5S)-5-[2-(nitrosothio)propan-2-yl]-3,6-dioxo-2-piperazinyl]propanoic acid IUPAC Name: 2-(6-methoxynaphthalen-2-yl)-2-methyl-3-[(2S,5S)-5-(2-nitrososulfanylpropan-2-yl)-3,6-dioxopiperazin-2-yl]propanoic acid Traditional Name: 3-[(2S,5S)-3,6-diketo-5-[1-methyl-1-(nitrosothio)ethyl]piperazin-2-yl]-2-(6-methoxy-2-naphthyl)-2-methyl-propionic acid Formula: C22H25N3O6S MolecularWeight: 459.5154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1C(=O)NC(C(=O)N1)CC(C)(C2=CC3=C(C=C2)C=C(C=C3)OC)C(=O)O)SN=O

Isomeric SMILES

CC(C)([C@@H]1C(=O)N[C@H](C(=O)N1)CC(C)(C2=CC3=C(C=C2)C=C(C=C3)OC)C(=O)O)SN=O

InChI

InChI=1S/C22H25N3O6S/c1-21(2,32-25-30)17-19(27)23-16(18(26)24-17)11-22(3,20(28)29)14-7-5-13-10-15(31-4)8-6-12(13)9-14/h5-10,16-17H,11H2,1-4H3,(H,23,27)(H,24,26)(H,28,29)/t16-,17-,22?/m0/s1