(2S)-2-(phenylmethoxycarbonylamino)-3-[4-(5-piperazin-1-ylpentoxy)phenyl]propanoic acid

Systemtic Name: (2S)-2-(phenylmethoxycarbonylamino)-3-[4-(5-piperazin-1-ylpentoxy)phenyl]propanoic acid Openeye Name: (2S)-2-(benzyloxycarbonylamino)-3-[4-(5-piperazin-1-ylpentoxy)phenyl]propanoic acid CAS Name: (2S)-2-(phenylmethoxycarbonylamino)-3-[4-[5-(1-piperazinyl)pentoxy]phenyl]propanoic acid IUPAC Name: (2S)-2-(phenylmethoxycarbonylamino)-3-[4-(5-piperazin-1-ylpentoxy)phenyl]propanoic acid Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-[4-(5-piperazinopentoxy)phenyl]propionic acid Formula: C26H35N3O5 MolecularWeight: 469.5732

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCCCCOC2=CC=C(C=C2)CC(C(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1)CCCCCOC2=CC=C(C=C2)C[C@@H](C(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H35N3O5/c30-25(31)24(28-26(32)34-20-22-7-3-1-4-8-22)19-21-9-11-23(12-10-21)33-18-6-2-5-15-29-16-13-27-14-17-29/h1,3-4,7-12,24,27H,2,5-6,13-20H2,(H,28,32)(H,30,31)/t24-/m0/s1