tert-butyl 3-[ethoxy-[2-methyl-1-(3-phenylpropylsulfonylamino)propyl]phosphoryl]-2-[2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoate

Systemtic Name: tert-butyl 3-[ethoxy-[2-methyl-1-(3-phenylpropylsulfonylamino)propyl]phosphoryl]-2-[2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoate Openeye Name: tert-butyl 2-[3-(tert-butoxycarbonylamino)-2-methyl-phenyl]-3-[ethoxy-[2-methyl-1-(3-phenylpropylsulfonylamino)propyl]phosphoryl]propanoate CAS Name: 3-[ethoxy-[2-methyl-1-(3-phenylpropylsulfonylamino)propyl]phosphoryl]-2-[2-methyl-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[ethoxy-[2-methyl-1-(3-phenylpropylsulfonylamino)propyl]phosphoryl]-2-[2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoate Traditional Name: 2-[3-(tert-butoxycarbonylamino)-2-methyl-phenyl]-3-[ethoxy-[2-methyl-1-(3-phenylpropylsulfonylamino)propyl]phosphoryl]propionic acid tert-butyl ester Formula: C34H53N2O8PS MolecularWeight: 680.831981

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC(C1=C(C(=CC=C1)NC(=O)OC(C)(C)C)C)C(=O)OC(C)(C)C)C(C(C)C)NS(=O)(=O)CCCC2=CC=CC=C2

Isomeric SMILES

CCOP(=O)(CC(C1=C(C(=CC=C1)NC(=O)OC(C)(C)C)C)C(=O)OC(C)(C)C)C(C(C)C)NS(=O)(=O)CCCC2=CC=CC=C2

InChI

InChI=1S/C34H53N2O8PS/c1-11-42-45(39,30(24(2)3)36-46(40,41)22-16-19-26-17-13-12-14-18-26)23-28(31(37)43-33(5,6)7)27-20-15-21-29(25(27)4)35-32(38)44-34(8,9)10/h12-15,17-18,20-21,24,28,30,36H,11,16,19,22-23H2,1-10H3,(H,35,38)