1-[2-[ethoxy(4-phenylbutyl)phosphoryl]ethanoyl]-4-phenylsulfanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[ethoxy(4-phenylbutyl)phosphoryl]ethanoyl]-4-phenylsulfanyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[ethoxy(4-phenylbutyl)phosphoryl]acetyl]-4-phenylsulfanyl-pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[ethoxy(4-phenylbutyl)phosphoryl]-1-oxoethyl]-4-(phenylthio)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[ethoxy(4-phenylbutyl)phosphoryl]acetyl]-4-phenylsulfanylpyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[ethoxy(4-phenylbutyl)phosphoryl]acetyl]-4-(phenylthio)proline Formula: C25H32NO5PS MolecularWeight: 489.564041

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCCCC1=CC=CC=C1)CC(=O)N2CC(CC2C(=O)O)SC3=CC=CC=C3

Isomeric SMILES

CCOP(=O)(CCCCC1=CC=CC=C1)CC(=O)N2CC(CC2C(=O)O)SC3=CC=CC=C3

InChI

InChI=1S/C25H32NO5PS/c1-2-31-32(30,16-10-9-13-20-11-5-3-6-12-20)19-24(27)26-18-22(17-23(26)25(28)29)33-21-14-7-4-8-15-21/h3-8,11-12,14-15,22-23H,2,9-10,13,16-19H2,1H3,(H,28,29)