3-(6-chloranylpurin-9-yl)-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-(6-chloranylpurin-9-yl)-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-(6-chloropurin-9-yl)propanoic acid CAS Name: 3-(6-chloro-9-purinyl)-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-(6-chloropurin-9-yl)-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-(6-chloropurin-9-yl)propionic acid Formula: C16H14ClN5O4 MolecularWeight: 375.76646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CN2C=NC3=C2N=CN=C3Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CN2C=NC3=C2N=CN=C3Cl)C(=O)O

InChI

InChI=1S/C16H14ClN5O4/c17-13-12-14(19-8-18-13)22(9-20-12)6-11(15(23)24)21-16(25)26-7-10-4-2-1-3-5-10/h1-5,8-9,11H,6-7H2,(H,21,25)(H,23,24)