(2S)-3-phosphonooxy-2-[7-(2-sulfoethyldisulfanyl)heptanoylamino]butanoic acid

Systemtic Name: (2S)-3-phosphonooxy-2-[7-(2-sulfoethyldisulfanyl)heptanoylamino]butanoic acid Openeye Name: (2S)-3-phosphonooxy-2-[7-(2-sulfoethyldisulfanyl)heptanoylamino]butanoic acid CAS Name: (2S)-2-[[1-oxo-7-(2-sulfoethyldisulfanyl)heptyl]amino]-3-phosphonooxybutanoic acid IUPAC Name: (2S)-3-phosphonooxy-2-[7-(2-sulfoethyldisulfanyl)heptanoylamino]butanoic acid Traditional Name: (2S)-3-phosphonooxy-2-[7-(2-sulfoethyldisulfanyl)heptanoylamino]butyric acid Formula: C13H26NO10PS3 MolecularWeight: 483.515001

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NC(=O)CCCCCCSSCCS(=O)(=O)O)OP(=O)(O)O

Isomeric SMILES

CC([C@@H](C(=O)O)NC(=O)CCCCCCSSCCS(=O)(=O)O)OP(=O)(O)O

InChI

InChI=1S/C13H26NO10PS3/c1-10(24-25(18,19)20)12(13(16)17)14-11(15)6-4-2-3-5-7-26-27-8-9-28(21,22)23/h10,12H,2-9H2,1H3,(H,14,15)(H,16,17)(H2,18,19,20)(H,21,22,23)/t10?,12-/m0/s1