[1-(11-ethylsulfanylundecanoylamino)-2-phenyl-ethyl]phosphonic acid

Systemtic Name: [1-(11-ethylsulfanylundecanoylamino)-2-phenyl-ethyl]phosphonic acid Openeye Name: [1-(11-ethylsulfanylundecanoylamino)-2-phenyl-ethyl]phosphonic acid CAS Name: [1-[[11-(ethylthio)-1-oxoundecyl]amino]-2-phenylethyl]phosphonic acid IUPAC Name: [1-(11-ethylsulfanylundecanoylamino)-2-phenylethyl]phosphonic acid Traditional Name: [1-[11-(ethylthio)undecanoylamino]-2-phenyl-ethyl]phosphonic acid Formula: C21H36NO4PS MolecularWeight: 429.553601

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCCCCCCCCCC(=O)NC(CC1=CC=CC=C1)P(=O)(O)O

Isomeric SMILES

CCSCCCCCCCCCCC(=O)NC(CC1=CC=CC=C1)P(=O)(O)O

InChI

InChI=1S/C21H36NO4PS/c1-2-28-17-13-8-6-4-3-5-7-12-16-20(23)22-21(27(24,25)26)18-19-14-10-9-11-15-19/h9-11,14-15,21H,2-8,12-13,16-18H2,1H3,(H,22,23)(H2,24,25,26)