3-(1H-imidazol-5-yl)-2-[3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl]propanoic acid

Systemtic Name: 3-(1H-imidazol-5-yl)-2-[3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl]propanoic acid Openeye Name: 2-[3-(benzyloxycarbonylamino)pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: 3-(1H-imidazol-5-yl)-2-[3-(phenylmethoxycarbonylamino)-1-pyrrolidinyl]propanoic acid IUPAC Name: 3-(1H-imidazol-5-yl)-2-[3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl]propanoic acid Traditional Name: 2-[3-(benzyloxycarbonylamino)pyrrolidino]-3-(1H-imidazol-5-yl)propionic acid Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC(=O)OCC2=CC=CC=C2)C(CC3=CN=CN3)C(=O)O

Isomeric SMILES

C1CN(CC1NC(=O)OCC2=CC=CC=C2)C(CC3=CN=CN3)C(=O)O

InChI

InChI=1S/C18H22N4O4/c23-17(24)16(8-15-9-19-12-20-15)22-7-6-14(10-22)21-18(25)26-11-13-4-2-1-3-5-13/h1-5,9,12,14,16H,6-8,10-11H2,(H,19,20)(H,21,25)(H,23,24)