(2S)-2-methyl-2-(phenylmethoxycarbonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid

Systemtic Name: (2S)-2-methyl-2-(phenylmethoxycarbonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid Openeye Name: (2S)-2-(benzyloxycarbonylamino)-2-methyl-3-[4-[4-(4-piperidyl)butoxy]phenyl]propanoic acid CAS Name: (2S)-2-methyl-2-(phenylmethoxycarbonylamino)-3-[4-[4-(4-piperidinyl)butoxy]phenyl]propanoic acid IUPAC Name: (2S)-2-methyl-2-(phenylmethoxycarbonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid Traditional Name: (2S)-2-(benzyloxycarbonylamino)-2-methyl-3-[4-[4-(4-piperidyl)butoxy]phenyl]propionic acid Formula: C27H36N2O5 MolecularWeight: 468.58514

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)OCCCCC2CCNCC2)(C(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C[C@](CC1=CC=C(C=C1)OCCCCC2CCNCC2)(C(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H36N2O5/c1-27(25(30)31,29-26(32)34-20-23-8-3-2-4-9-23)19-22-10-12-24(13-11-22)33-18-6-5-7-21-14-16-28-17-15-21/h2-4,8-13,21,28H,5-7,14-20H2,1H3,(H,29,32)(H,30,31)/t27-/m0/s1