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

Systemtic Name: 2-[bis(2-methylpropylsulfanyl)phosphorylmethyl-phenylmethoxycarbonyl-amino]butanoic acid Openeye Name: 2-[benzyloxycarbonyl-[bis(isobutylsulfanyl)phosphorylmethyl]amino]butanoic acid CAS Name: 2-[bis(2-methylpropylthio)phosphorylmethyl-phenylmethoxycarbonylamino]butanoic acid IUPAC Name: 2-[bis(2-methylpropylsulfanyl)phosphorylmethyl-phenylmethoxycarbonylamino]butanoic acid Traditional Name: 2-[bis(isobutylthio)phosphorylmethyl-carbobenzoxy-amino]butyric acid Formula: C21H34NO5PS2 MolecularWeight: 475.602121

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)N(CP(=O)(SCC(C)C)SCC(C)C)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCC(C(=O)O)N(CP(=O)(SCC(C)C)SCC(C)C)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C21H34NO5PS2/c1-6-19(20(23)24)22(21(25)27-12-18-10-8-7-9-11-18)15-28(26,29-13-16(2)3)30-14-17(4)5/h7-11,16-17,19H,6,12-15H2,1-5H3,(H,23,24)