2-[bis(propan-2-ylsulfanyl)phosphinothioylmethyl-phenylmethoxycarbonyl-amino]butanoic acid

Systemtic Name: 2-[bis(propan-2-ylsulfanyl)phosphinothioylmethyl-phenylmethoxycarbonyl-amino]butanoic acid Openeye Name: 2-[benzyloxycarbonyl-[bis(isopropylsulfanyl)phosphinothioylmethyl]amino]butanoic acid CAS Name: 2-[bis(propan-2-ylthio)phosphinothioylmethyl-phenylmethoxycarbonylamino]butanoic acid IUPAC Name: 2-[bis(propan-2-ylsulfanyl)phosphinothioylmethyl-phenylmethoxycarbonylamino]butanoic acid Traditional Name: 2-[bis(isopropylthio)thiophosphorylmethyl-carbobenzoxy-amino]butyric acid Formula: C19H30NO4PS3 MolecularWeight: 463.614561

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)N(CP(=S)(SC(C)C)SC(C)C)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCC(C(=O)O)N(CP(=S)(SC(C)C)SC(C)C)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C19H30NO4PS3/c1-6-17(18(21)22)20(13-25(26,27-14(2)3)28-15(4)5)19(23)24-12-16-10-8-7-9-11-16/h7-11,14-15,17H,6,12-13H2,1-5H3,(H,21,22)