4-cyclohexyl-1-[2-[(2-methyl-1-oxidanyl-propoxy)-(4-phenylbutyl)phosphoryl]ethanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 4-cyclohexyl-1-[2-[(2-methyl-1-oxidanyl-propoxy)-(4-phenylbutyl)phosphoryl]ethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 4-cyclohexyl-1-[2-[(1-hydroxy-2-methyl-propoxy)-(4-phenylbutyl)phosphoryl]acetyl]pyrrolidine-2-carboxylic acid CAS Name: 4-cyclohexyl-1-[2-[(1-hydroxy-2-methylpropoxy)-(4-phenylbutyl)phosphoryl]-1-oxoethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-cyclohexyl-1-[2-[(1-hydroxy-2-methylpropoxy)-(4-phenylbutyl)phosphoryl]acetyl]pyrrolidine-2-carboxylic acid Traditional Name: 4-cyclohexyl-1-[2-[(1-hydroxy-2-methyl-propoxy)-(4-phenylbutyl)phosphoryl]acetyl]proline Formula: C27H42NO6P MolecularWeight: 507.599241

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(O)OP(=O)(CCCCC1=CC=CC=C1)CC(=O)N2CC(CC2C(=O)O)C3CCCCC3

Isomeric SMILES

CC(C)C(O)OP(=O)(CCCCC1=CC=CC=C1)CC(=O)N2CC(CC2C(=O)O)C3CCCCC3

InChI

InChI=1S/C27H42NO6P/c1-20(2)27(32)34-35(33,16-10-9-13-21-11-5-3-6-12-21)19-25(29)28-18-23(17-24(28)26(30)31)22-14-7-4-8-15-22/h3,5-6,11-12,20,22-24,27,32H,4,7-10,13-19H2,1-2H3,(H,30,31)