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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SP(=S)(CN(C(CC)C(=O)O)C(=O)OCC1=CC=CC=C1)SC(C)CC

Isomeric SMILES

CCC(C)SP(=S)(CN(C(CC)C(=O)O)C(=O)OCC1=CC=CC=C1)SC(C)CC

InChI

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