sodium 4-cyclohexyl-1-[2-[(2-methyl-1-propanoyloxy-propoxy)-(4-phenylbutyl)phosphoryl]ethanoyl]pyrrolidine-3-carboxylate

Systemtic Name: sodium 4-cyclohexyl-1-[2-[(2-methyl-1-propanoyloxy-propoxy)-(4-phenylbutyl)phosphoryl]ethanoyl]pyrrolidine-3-carboxylate Openeye Name: sodium 4-cyclohexyl-1-[2-[(2-methyl-1-propanoyloxy-propoxy)-(4-phenylbutyl)phosphoryl]acetyl]pyrrolidine-3-carboxylate CAS Name: sodium 4-cyclohexyl-1-[2-[[2-methyl-1-(1-oxopropoxy)propoxy]-(4-phenylbutyl)phosphoryl]-1-oxoethyl]-3-pyrrolidinecarboxylate IUPAC Name: sodium 4-cyclohexyl-1-[2-[(2-methyl-1-propanoyloxypropoxy)-(4-phenylbutyl)phosphoryl]acetyl]pyrrolidine-3-carboxylate Traditional Name: sodium 4-cyclohexyl-1-[2-[(2-methyl-1-propionyloxy-propoxy)-(4-phenylbutyl)phosphoryl]acetyl]pyrrolidine-3-carboxylate Formula: C30H45NNaO7P MolecularWeight: 585.644331

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC(C(C)C)OP(=O)(CCCCC1=CC=CC=C1)CC(=O)N2CC(C(C2)C(=O)[O-])C3CCCCC3.[Na+]

Isomeric SMILES

CCC(=O)OC(C(C)C)OP(=O)(CCCCC1=CC=CC=C1)CC(=O)N2CC(C(C2)C(=O)[O-])C3CCCCC3.[Na+]

InChI

InChI=1S/C30H46NO7P.Na/c1-4-28(33)37-30(22(2)3)38-39(36,18-12-11-15-23-13-7-5-8-14-23)21-27(32)31-19-25(26(20-31)29(34)35)24-16-9-6-10-17-24;/h5,7-8,13-14,22,24-26,30H,4,6,9-12,15-21H2,1-3H3,(H,34,35);/q;+1/p-1