2-[bis(4-methoxyphenoxy)phosphorylmethyl-(phenylmethyl)sulfinylcarbonyl-amino]butanoic acid

Systemtic Name: 2-[bis(4-methoxyphenoxy)phosphorylmethyl-(phenylmethyl)sulfinylcarbonyl-amino]butanoic acid Openeye Name: 2-[benzylsulfinylcarbonyl-[bis(4-methoxyphenoxy)phosphorylmethyl]amino]butanoic acid CAS Name: 2-[bis(4-methoxyphenoxy)phosphorylmethyl-[oxo-(phenylmethyl)sulfinylmethyl]amino]butanoic acid IUPAC Name: 2-[benzylsulfinylcarbonyl-[bis(4-methoxyphenoxy)phosphorylmethyl]amino]butanoic acid Traditional Name: 2-[benzylsulfinylcarbonyl-[bis(4-methoxyphenoxy)phosphorylmethyl]amino]butyric acid Formula: C27H30NO9PS MolecularWeight: 575.567161

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)N(CP(=O)(OC1=CC=C(C=C1)OC)OC2=CC=C(C=C2)OC)C(=O)S(=O)CC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)O)N(CP(=O)(OC1=CC=C(C=C1)OC)OC2=CC=C(C=C2)OC)C(=O)S(=O)CC3=CC=CC=C3

InChI

InChI=1S/C27H30NO9PS/c1-4-25(26(29)30)28(27(31)39(33)18-20-8-6-5-7-9-20)19-38(32,36-23-14-10-21(34-2)11-15-23)37-24-16-12-22(35-3)13-17-24/h5-17,25H,4,18-19H2,1-3H3,(H,29,30)