(2R)-3-bis(3,5-ditert-butyl-4-methoxy-phenyl)phosphinothioyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: (2R)-3-bis(3,5-ditert-butyl-4-methoxy-phenyl)phosphinothioyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: (2R)-3-bis(3,5-ditert-butyl-4-methoxy-phenyl)phosphinothioyl-2-(tert-butoxycarbonylamino)propanoic acid CAS Name: (2R)-3-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphinothioyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: (2R)-3-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphinothioyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: (2R)-3-bis(3,5-ditert-butyl-4-methoxy-phenyl)thiophosphoryl-2-(tert-butoxycarbonylamino)propionic acid Formula: C38H60NO6PS MolecularWeight: 689.924861

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1OC)C(C)(C)C)P(=S)(CC(C(=O)O)NC(=O)OC(C)(C)C)C2=CC(=C(C(=C2)C(C)(C)C)OC)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1OC)C(C)(C)C)P(=S)(C[C@@H](C(=O)O)NC(=O)OC(C)(C)C)C2=CC(=C(C(=C2)C(C)(C)C)OC)C(C)(C)C

InChI

InChI=1S/C38H60NO6PS/c1-34(2,3)25-18-23(19-26(30(25)43-16)35(4,5)6)46(47,22-29(32(40)41)39-33(42)45-38(13,14)15)24-20-27(36(7,8)9)31(44-17)28(21-24)37(10,11)12/h18-21,29H,22H2,1-17H3,(H,39,42)(H,40,41)/t29-/m0/s1