3-[6-[4-(aminomethyl)piperidin-1-yl]purin-9-yl]-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-[6-[4-(aminomethyl)piperidin-1-yl]purin-9-yl]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 3-[6-[4-(aminomethyl)-1-piperidyl]purin-9-yl]-2-(benzyloxycarbonylamino)propanoic acid CAS Name: 3-[6-[4-(aminomethyl)-1-piperidinyl]-9-purinyl]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-[6-[4-(aminomethyl)piperidin-1-yl]purin-9-yl]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 3-[6-[4-(aminomethyl)piperidino]purin-9-yl]-2-(benzyloxycarbonylamino)propionic acid Formula: C22H27N7O4 MolecularWeight: 453.49428

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN)C2=NC=NC3=C2N=CN3CC(C(=O)O)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1CN)C2=NC=NC3=C2N=CN3CC(C(=O)O)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C22H27N7O4/c23-10-15-6-8-28(9-7-15)19-18-20(25-13-24-19)29(14-26-18)11-17(21(30)31)27-22(32)33-12-16-4-2-1-3-5-16/h1-5,13-15,17H,6-12,23H2,(H,27,32)(H,30,31)