2-[[2-[[4-azanyl-5-oxidanylidene-5-(2-oxidanyl-3-phosphonooxy-propoxy)pentanoyl]amino]-3-sulfanyl-propanoyl]amino]ethanoic acid

Systemtic Name: 2-[[2-[[4-azanyl-5-oxidanylidene-5-(2-oxidanyl-3-phosphonooxy-propoxy)pentanoyl]amino]-3-sulfanyl-propanoyl]amino]ethanoic acid Openeye Name: 2-[[2-[[4-amino-5-(2-hydroxy-3-phosphonooxy-propoxy)-5-oxo-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]acetic acid CAS Name: 2-[[2-[[4-amino-5-(2-hydroxy-3-phosphonooxypropoxy)-1,5-dioxopentyl]amino]-3-mercapto-1-oxopropyl]amino]acetic acid IUPAC Name: 2-[[2-[[4-amino-5-(2-hydroxy-3-phosphonooxypropoxy)-5-oxopentanoyl]amino]-3-sulfanylpropanoyl]amino]acetic acid Traditional Name: 2-[[2-[[4-amino-5-(2-hydroxy-3-phosphonooxy-propoxy)-5-keto-pentanoyl]amino]-3-mercapto-propanoyl]amino]acetic acid Formula: C13H24N3O11PS MolecularWeight: 461.381921

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)OCC(COP(=O)(O)O)O)N

Isomeric SMILES

C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)OCC(COP(=O)(O)O)O)N

InChI

InChI=1S/C13H24N3O11PS/c14-8(13(22)26-4-7(17)5-27-28(23,24)25)1-2-10(18)16-9(6-29)12(21)15-3-11(19)20/h7-9,17,29H,1-6,14H2,(H,15,21)(H,16,18)(H,19,20)(H2,23,24,25)