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

Systemtic Name: 2-[bis(butylsulfanyl)phosphinothioylmethyl-phenylmethoxycarbonyl-amino]butanoic acid Openeye Name: 2-[benzyloxycarbonyl-[bis(butylsulfanyl)phosphinothioylmethyl]amino]butanoic acid CAS Name: 2-[bis(butylthio)phosphinothioylmethyl-phenylmethoxycarbonylamino]butanoic acid IUPAC Name: 2-[bis(butylsulfanyl)phosphinothioylmethyl-phenylmethoxycarbonylamino]butanoic acid Traditional Name: 2-[bis(butylthio)thiophosphorylmethyl-carbobenzoxy-amino]butyric acid Formula: C21H34NO4PS3 MolecularWeight: 491.667721

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSP(=S)(CN(C(CC)C(=O)O)C(=O)OCC1=CC=CC=C1)SCCCC

Isomeric SMILES

CCCCSP(=S)(CN(C(CC)C(=O)O)C(=O)OCC1=CC=CC=C1)SCCCC

InChI

InChI=1S/C21H34NO4PS3/c1-4-7-14-29-27(28,30-15-8-5-2)17-22(19(6-3)20(23)24)21(25)26-16-18-12-10-9-11-13-18/h9-13,19H,4-8,14-17H2,1-3H3,(H,23,24)