2-[3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl]-3-(1-propylimidazol-4-yl)propanoic acid

Systemtic Name: 2-[3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl]-3-(1-propylimidazol-4-yl)propanoic acid Openeye Name: 2-[3-(benzyloxycarbonylamino)pyrrolidin-1-yl]-3-(1-propylimidazol-4-yl)propanoic acid CAS Name: 2-[3-(phenylmethoxycarbonylamino)-1-pyrrolidinyl]-3-(1-propyl-4-imidazolyl)propanoic acid IUPAC Name: 2-[3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl]-3-(1-propylimidazol-4-yl)propanoic acid Traditional Name: 2-[3-(benzyloxycarbonylamino)pyrrolidino]-3-(1-propylimidazol-4-yl)propionic acid Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(N=C1)CC(C(=O)O)N2CCC(C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCN1C=C(N=C1)CC(C(=O)O)N2CCC(C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H28N4O4/c1-2-9-24-12-18(22-15-24)11-19(20(26)27)25-10-8-17(13-25)23-21(28)29-14-16-6-4-3-5-7-16/h3-7,12,15,17,19H,2,8-11,13-14H2,1H3,(H,23,28)(H,26,27)