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

Systemtic Name: 3-[4-(4-azanyl-4-azanylidene-butoxy)phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 3-[4-(4-amino-4-imino-butoxy)phenyl]-2-(benzyloxycarbonylamino)propanoic acid CAS Name: 3-[4-(4-amino-4-iminobutoxy)phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-[4-(4-amino-4-iminobutoxy)phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 3-[4-(4-amino-4-imino-butoxy)phenyl]-2-(benzyloxycarbonylamino)propionic acid Formula: C21H25N3O5 MolecularWeight: 399.4403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5/c22-19(23)7-4-12-28-17-10-8-15(9-11-17)13-18(20(25)26)24-21(27)29-14-16-5-2-1-3-6-16/h1-3,5-6,8-11,18H,4,7,12-14H2,(H3,22,23)(H,24,27)(H,25,26)