2-[bis(4-methoxyphenoxy)phosphinothioylmethyl-phenylmethoxycarbonyl-amino]hexanoic acid

Systemtic Name: 2-[bis(4-methoxyphenoxy)phosphinothioylmethyl-phenylmethoxycarbonyl-amino]hexanoic acid Openeye Name: 2-[benzyloxycarbonyl-[bis(4-methoxyphenoxy)phosphinothioylmethyl]amino]hexanoic acid CAS Name: 2-[bis(4-methoxyphenoxy)phosphinothioylmethyl-phenylmethoxycarbonylamino]hexanoic acid IUPAC Name: 2-[bis(4-methoxyphenoxy)phosphinothioylmethyl-phenylmethoxycarbonylamino]hexanoic acid Traditional Name: 2-[bis(4-methoxyphenoxy)thiophosphorylmethyl-carbobenzoxy-amino]hexanoic acid Formula: C29H34NO8PS MolecularWeight: 587.620921

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)N(CP(=S)(OC1=CC=C(C=C1)OC)OC2=CC=C(C=C2)OC)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCC(C(=O)O)N(CP(=S)(OC1=CC=C(C=C1)OC)OC2=CC=C(C=C2)OC)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C29H34NO8PS/c1-4-5-11-27(28(31)32)30(29(33)36-20-22-9-7-6-8-10-22)21-39(40,37-25-16-12-23(34-2)13-17-25)38-26-18-14-24(35-3)15-19-26/h6-10,12-19,27H,4-5,11,20-21H2,1-3H3,(H,31,32)