2-[bis(butan-2-ylsulfanyl)phosphinothioylmethyl-phenylmethoxycarbonyl-amino]decanoic acid

Systemtic Name: 2-[bis(butan-2-ylsulfanyl)phosphinothioylmethyl-phenylmethoxycarbonyl-amino]decanoic acid Openeye Name: 2-[benzyloxycarbonyl-[bis(sec-butylsulfanyl)phosphinothioylmethyl]amino]decanoic acid CAS Name: 2-[bis(butan-2-ylthio)phosphinothioylmethyl-phenylmethoxycarbonylamino]decanoic acid IUPAC Name: 2-[bis(butan-2-ylsulfanyl)phosphinothioylmethyl-phenylmethoxycarbonylamino]decanoic acid Traditional Name: 2-[bis(sec-butylthio)thiophosphorylmethyl-carbobenzoxy-amino]capric acid Formula: C27H46NO4PS3 MolecularWeight: 575.827201

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H46NO4PS3/c1-6-9-10-11-12-16-19-25(26(29)30)28(27(31)32-20-24-17-14-13-15-18-24)21-33(34,35-22(4)7-2)36-23(5)8-3/h13-15,17-18,22-23,25H,6-12,16,19-21H2,1-5H3,(H,29,30)