(2S)-3-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoic acid; 1-oxidanylpyrrolidine-2,5-dione

Systemtic Name: (2S)-3-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoic acid; 1-oxidanylpyrrolidine-2,5-dione Openeye Name: (2S)-2-(benzyloxycarbonylamino)-3-(1H-imidazol-5-yl)propanoic acid; 1-hydroxypyrrolidine-2,5-dione CAS Name: 1-hydroxypyrrolidine-2,5-dione; (2S)-3-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 1-hydroxypyrrolidine-2,5-dione; (2S)-3-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-(1H-imidazol-5-yl)propionic acid; 1-hydroxypyrrolidine-2,5-quinone Formula: C32H35N7O11 MolecularWeight: 693.6606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1=O)O.C1=CC=C(C=C1)COC(=O)NC(CC2=CN=CN2)C(=O)O.C1=CC=C(C=C1)COC(=O)NC(CC2=CN=CN2)C(=O)O

Isomeric SMILES

C1CC(=O)N(C1=O)O.C1=CC=C(C=C1)COC(=O)N[C@@H](CC2=CN=CN2)C(=O)O.C1=CC=C(C=C1)COC(=O)N[C@@H](CC2=CN=CN2)C(=O)O

InChI

InChI=1S/2C14H15N3O4.C4H5NO3/c2*18-13(19)12(6-11-7-15-9-16-11)17-14(20)21-8-10-4-2-1-3-5-10;6-3-1-2-4(7)5(3)8/h2*1-5,7,9,12H,6,8H2,(H,15,16)(H,17,20)(H,18,19);8H,1-2H2/t2*12-;/m00./s1