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

Systemtic Name: 2-[bis(butan-2-ylsulfanyl)phosphorylmethyl-phenylmethoxycarbonyl-amino]butanoic acid Openeye Name: 2-[benzyloxycarbonyl-[bis(sec-butylsulfanyl)phosphorylmethyl]amino]butanoic acid CAS Name: 2-[bis(butan-2-ylthio)phosphorylmethyl-phenylmethoxycarbonylamino]butanoic acid IUPAC Name: 2-[bis(butan-2-ylsulfanyl)phosphorylmethyl-phenylmethoxycarbonylamino]butanoic acid Traditional Name: 2-[bis(sec-butylthio)phosphorylmethyl-carbobenzoxy-amino]butyric acid Formula: C21H34NO5PS2 MolecularWeight: 475.602121

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34NO5PS2/c1-6-16(4)29-28(26,30-17(5)7-2)15-22(19(8-3)20(23)24)21(25)27-14-18-12-10-9-11-13-18/h9-13,16-17,19H,6-8,14-15H2,1-5H3,(H,23,24)