3-[4-(5-azanyl-5-azanylidene-pentoxy)phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-[4-(5-azanyl-5-azanylidene-pentoxy)phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 3-[4-(5-amino-5-imino-pentoxy)phenyl]-2-(benzyloxycarbonylamino)propanoic acid CAS Name: 3-[4-(5-amino-5-iminopentoxy)phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-[4-(5-amino-5-iminopentoxy)phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 3-[4-(5-amino-5-imino-pentoxy)phenyl]-2-(benzyloxycarbonylamino)propionic acid Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC2=CC=C(C=C2)OCCCCC(=N)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CC2=CC=C(C=C2)OCCCCC(=N)N)C(=O)O

InChI

InChI=1S/C22H27N3O5/c23-20(24)8-4-5-13-29-18-11-9-16(10-12-18)14-19(21(26)27)25-22(28)30-15-17-6-2-1-3-7-17/h1-3,6-7,9-12,19H,4-5,8,13-15H2,(H3,23,24)(H,25,28)(H,26,27)