(2R)-3-[(1-ethoxy-3-methyl-3-nitrososulfanyl-butoxy)-oxidanyl-phosphoryl]-2-(6-methoxynaphthalen-2-yl)-2-methyl-propanoic acid

Systemtic Name: (2R)-3-[(1-ethoxy-3-methyl-3-nitrososulfanyl-butoxy)-oxidanyl-phosphoryl]-2-(6-methoxynaphthalen-2-yl)-2-methyl-propanoic acid Openeye Name: (2R)-3-[(1-ethoxy-3-methyl-3-nitrososulfanyl-butoxy)-hydroxy-phosphoryl]-2-(6-methoxy-2-naphthyl)-2-methyl-propanoic acid CAS Name: (2R)-3-[[1-ethoxy-3-methyl-3-(nitrosothio)butoxy]-hydroxyphosphoryl]-2-(6-methoxy-2-naphthalenyl)-2-methylpropanoic acid IUPAC Name: (2R)-3-[(1-ethoxy-3-methyl-3-nitrososulfanylbutoxy)-hydroxyphosphoryl]-2-(6-methoxynaphthalen-2-yl)-2-methylpropanoic acid Traditional Name: (2R)-3-[[1-ethoxy-3-methyl-3-(nitrosothio)butoxy]-hydroxy-phosphoryl]-2-(6-methoxy-2-naphthyl)-2-methyl-propionic acid Formula: C22H30NO8PS MolecularWeight: 499.514261

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC(C)(C)SN=O)OP(=O)(CC(C)(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O)O

Isomeric SMILES

CCOC(CC(C)(C)SN=O)OP(=O)(C[C@](C)(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O)O

InChI

InChI=1S/C22H30NO8PS/c1-6-30-19(13-21(2,3)33-23-26)31-32(27,28)14-22(4,20(24)25)17-9-7-16-12-18(29-5)10-8-15(16)11-17/h7-12,19H,6,13-14H2,1-5H3,(H,24,25)(H,27,28)/t19?,22-/m1/s1