(2S)-2-(phenylmethoxycarbonylamino)-3-[4-(4-piperazin-1-ylbutoxy)phenyl]propanoic acid

Systemtic Name: (2S)-2-(phenylmethoxycarbonylamino)-3-[4-(4-piperazin-1-ylbutoxy)phenyl]propanoic acid Openeye Name: (2S)-2-(benzyloxycarbonylamino)-3-[4-(4-piperazin-1-ylbutoxy)phenyl]propanoic acid CAS Name: (2S)-2-(phenylmethoxycarbonylamino)-3-[4-[4-(1-piperazinyl)butoxy]phenyl]propanoic acid IUPAC Name: (2S)-2-(phenylmethoxycarbonylamino)-3-[4-(4-piperazin-1-ylbutoxy)phenyl]propanoic acid Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-[4-(4-piperazinobutoxy)phenyl]propionic acid Formula: C25H33N3O5 MolecularWeight: 455.54662

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCCCOC2=CC=C(C=C2)CC(C(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1)CCCCOC2=CC=C(C=C2)C[C@@H](C(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H33N3O5/c29-24(30)23(27-25(31)33-19-21-6-2-1-3-7-21)18-20-8-10-22(11-9-20)32-17-5-4-14-28-15-12-26-13-16-28/h1-3,6-11,23,26H,4-5,12-19H2,(H,27,31)(H,29,30)/t23-/m0/s1