2-[bis(2,6-dimethoxyphenoxy)phosphinothioylmethyl-phenylmethoxycarbonyl-amino]-4-chloranyl-butanoic acid

Systemtic Name: 2-[bis(2,6-dimethoxyphenoxy)phosphinothioylmethyl-phenylmethoxycarbonyl-amino]-4-chloranyl-butanoic acid Openeye Name: 2-[benzyloxycarbonyl-[bis(2,6-dimethoxyphenoxy)phosphinothioylmethyl]amino]-4-chloro-butanoic acid CAS Name: 2-[bis(2,6-dimethoxyphenoxy)phosphinothioylmethyl-phenylmethoxycarbonylamino]-4-chlorobutanoic acid IUPAC Name: 2-[bis(2,6-dimethoxyphenoxy)phosphinothioylmethyl-phenylmethoxycarbonylamino]-4-chlorobutanoic acid Traditional Name: 2-[bis(2,6-dimethoxyphenoxy)thiophosphorylmethyl-carbobenzoxy-amino]-4-chloro-butyric acid Formula: C29H33ClNO10PS MolecularWeight: 654.064781

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)OP(=S)(CN(C(CCCl)C(=O)O)C(=O)OCC2=CC=CC=C2)OC3=C(C=CC=C3OC)OC

Isomeric SMILES

COC1=C(C(=CC=C1)OC)OP(=S)(CN(C(CCCl)C(=O)O)C(=O)OCC2=CC=CC=C2)OC3=C(C=CC=C3OC)OC

InChI

InChI=1S/C29H33ClNO10PS/c1-35-22-12-8-13-23(36-2)26(22)40-42(43,41-27-24(37-3)14-9-15-25(27)38-4)19-31(21(16-17-30)28(32)33)29(34)39-18-20-10-6-5-7-11-20/h5-15,21H,16-19H2,1-4H3,(H,32,33)