(2S)-2-[5-[bis[(1-nitrososulfanylcyclohexyl)methyl]amino]-6-methoxy-naphthalen-2-yl]-2-methyl-heptanoic acid

Systemtic Name: (2S)-2-[5-[bis[(1-nitrososulfanylcyclohexyl)methyl]amino]-6-methoxy-naphthalen-2-yl]-2-methyl-heptanoic acid Openeye Name: (2S)-2-[5-[bis[(1-nitrososulfanylcyclohexyl)methyl]amino]-6-methoxy-2-naphthyl]-2-methyl-heptanoic acid CAS Name: (2S)-2-[5-[bis[[1-(nitrosothio)cyclohexyl]methyl]amino]-6-methoxy-2-naphthalenyl]-2-methylheptanoic acid IUPAC Name: (2S)-2-[5-[bis[(1-nitrososulfanylcyclohexyl)methyl]amino]-6-methoxynaphthalen-2-yl]-2-methylheptanoic acid Traditional Name: (2S)-2-[5-[bis[[1-(nitrosothio)cyclohexyl]methyl]amino]-6-methoxy-2-naphthyl]-2-methyl-enanthic acid Formula: C33H47N3O5S2 MolecularWeight: 629.87338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C1=CC2=C(C=C1)C(=C(C=C2)OC)N(CC3(CCCCC3)SN=O)CC4(CCCCC4)SN=O)C(=O)O

Isomeric SMILES

CCCCC[C@@](C)(C1=CC2=C(C=C1)C(=C(C=C2)OC)N(CC3(CCCCC3)SN=O)CC4(CCCCC4)SN=O)C(=O)O

InChI

InChI=1S/C33H47N3O5S2/c1-4-5-8-17-31(2,30(37)38)26-14-15-27-25(22-26)13-16-28(41-3)29(27)36(23-32(42-34-39)18-9-6-10-19-32)24-33(43-35-40)20-11-7-12-21-33/h13-16,22H,4-12,17-21,23-24H2,1-3H3,(H,37,38)/t31-/m0/s1