(phenylmethyl) (2S)-3-[4-di(piperidin-1-yl)phosphoryloxyphenyl]-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: (phenylmethyl) (2S)-3-[4-di(piperidin-1-yl)phosphoryloxyphenyl]-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: benzyl (2S)-2-(benzyloxycarbonylamino)-3-[4-[bis(1-piperidyl)phosphoryloxy]phenyl]propanoate CAS Name: (2S)-3-[4-[bis(1-piperidinyl)phosphoryloxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-3-[4-di(piperidin-1-yl)phosphoryloxyphenyl]-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-(4-dipiperidinophosphoryloxyphenyl)propionic acid benzyl ester Formula: C34H42N3O6P MolecularWeight: 619.687541

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)P(=O)(N2CCCCC2)OC3=CC=C(C=C3)CC(C(=O)OCC4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)P(=O)(N2CCCCC2)OC3=CC=C(C=C3)C[C@@H](C(=O)OCC4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C34H42N3O6P/c38-33(41-26-29-13-5-1-6-14-29)32(35-34(39)42-27-30-15-7-2-8-16-30)25-28-17-19-31(20-18-28)43-44(40,36-21-9-3-10-22-36)37-23-11-4-12-24-37/h1-2,5-8,13-20,32H,3-4,9-12,21-27H2,(H,35,39)/t32-/m0/s1