4-oxidanylpyrrolidine-2-carboxylic acid; 1-(7,8,21,23-tetrahydroporphyrin-2-yl)ethanone

Systemtic Name: 4-oxidanylpyrrolidine-2-carboxylic acid; 1-(7,8,21,23-tetrahydroporphyrin-2-yl)ethanone Openeye Name: 4-hydroxypyrrolidine-2-carboxylic acid; 1-(7,8,21,23-tetrahydroporphyrin-2-yl)ethanone CAS Name: 4-hydroxy-2-pyrrolidinecarboxylic acid; 1-(7,8,21,23-tetrahydroporphyrin-2-yl)ethanone IUPAC Name: 4-hydroxypyrrolidine-2-carboxylic acid; 1-(7,8,21,23-tetrahydroporphyrin-2-yl)ethanone Traditional Name: 4-hydroxyproline; 1-(7,8,21,23-tetrahydroporphin-2-yl)ethanone Formula: C27H27N5O4 MolecularWeight: 485.53438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C2C=C3C=CC(=N3)C=C4C=CC(=CC5=NC(=CC(=C1)N2)CC5)N4.C1C(CNC1C(=O)O)O

Isomeric SMILES

CC(=O)C1=C2C=C3C=CC(=N3)C=C4C=CC(=CC5=NC(=CC(=C1)N2)CC5)N4.C1C(CNC1C(=O)O)O

InChI

InChI=1S/C22H18N4O.C5H9NO3/c1-13(27)21-11-20-10-18-5-4-16(24-18)8-14-2-3-15(23-14)9-17-6-7-19(25-17)12-22(21)26-20;7-3-1-4(5(8)9)6-2-3/h2-3,6-12,23,26H,4-5H2,1H3;3-4,6-7H,1-2H2,(H,8,9)