[[(2-butoxy-2-oxidanylidene-ethyl)-phenylmethoxycarbonyl-amino]-bis(3-phenylpropylsulfanyl)methyl]phosphonic acid

Systemtic Name: [[(2-butoxy-2-oxidanylidene-ethyl)-phenylmethoxycarbonyl-amino]-bis(3-phenylpropylsulfanyl)methyl]phosphonic acid Openeye Name: [[benzyloxycarbonyl-(2-butoxy-2-oxo-ethyl)amino]-bis(3-phenylpropylsulfanyl)methyl]phosphonic acid CAS Name: [[(2-butoxy-2-oxoethyl)-phenylmethoxycarbonylamino]-bis(3-phenylpropylthio)methyl]phosphonic acid IUPAC Name: [[(2-butoxy-2-oxoethyl)-phenylmethoxycarbonylamino]-bis(3-phenylpropylsulfanyl)methyl]phosphonic acid Traditional Name: [[(2-butoxy-2-keto-ethyl)-carbobenzoxy-amino]-bis(3-phenylpropylthio)methyl]phosphonic acid Formula: C33H42NO7PS2 MolecularWeight: 659.792841

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CN(C(=O)OCC1=CC=CC=C1)C(P(=O)(O)O)(SCCCC2=CC=CC=C2)SCCCC3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)CN(C(=O)OCC1=CC=CC=C1)C(P(=O)(O)O)(SCCCC2=CC=CC=C2)SCCCC3=CC=CC=C3

InChI

InChI=1S/C33H42NO7PS2/c1-2-3-23-40-31(35)26-34(32(36)41-27-30-19-11-6-12-20-30)33(42(37,38)39,43-24-13-21-28-15-7-4-8-16-28)44-25-14-22-29-17-9-5-10-18-29/h4-12,15-20H,2-3,13-14,21-27H2,1H3,(H2,37,38,39)