(2S)-3-phosphonooxy-2-[[(E)-7-(2-sulfoethyldisulfanyl)hept-2-enoyl]amino]butanoic acid

Systemtic Name: (2S)-3-phosphonooxy-2-[[(E)-7-(2-sulfoethyldisulfanyl)hept-2-enoyl]amino]butanoic acid Openeye Name: (2S)-3-phosphonooxy-2-[[(E)-7-(2-sulfoethyldisulfanyl)hept-2-enoyl]amino]butanoic acid CAS Name: (2S)-2-[[(E)-1-oxo-7-(2-sulfoethyldisulfanyl)hept-2-enyl]amino]-3-phosphonooxybutanoic acid IUPAC Name: (2S)-3-phosphonooxy-2-[[(E)-7-(2-sulfoethyldisulfanyl)hept-2-enoyl]amino]butanoic acid Traditional Name: (2S)-3-phosphonooxy-2-[[(E)-7-(2-sulfoethyldisulfanyl)hept-2-enoyl]amino]butyric acid Formula: C13H24NO10PS3 MolecularWeight: 481.499121

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H24NO10PS3/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/h4,6,10,12H,2-3,5,7-9H2,1H3,(H,14,15)(H,16,17)(H2,18,19,20)(H,21,22,23)/b6-4+/t10?,12-/m0/s1