2-(2-azanyl-4-methylsulfanyl-butanoyl)-3-bis(phenylmethyl)phosphoryl-1-propyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 2-(2-azanyl-4-methylsulfanyl-butanoyl)-3-bis(phenylmethyl)phosphoryl-1-propyl-pyrrolidine-2-carboxylic acid Openeye Name: 2-(2-amino-4-methylsulfanyl-butanoyl)-3-dibenzylphosphoryl-1-propyl-pyrrolidine-2-carboxylic acid CAS Name: 2-[2-amino-4-(methylthio)-1-oxobutyl]-3-bis(phenylmethyl)phosphoryl-1-propyl-2-pyrrolidinecarboxylic acid IUPAC Name: 2-(2-amino-4-methylsulfanylbutanoyl)-3-dibenzylphosphoryl-1-propylpyrrolidine-2-carboxylic acid Traditional Name: 2-[2-amino-4-(methylthio)butanoyl]-3-dibenzylphosphoryl-1-propyl-proline Formula: C27H37N2O4PS MolecularWeight: 516.632441

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(C1(C(=O)C(CCSC)N)C(=O)O)P(=O)(CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CCCN1CCC(C1(C(=O)C(CCSC)N)C(=O)O)P(=O)(CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C27H37N2O4PS/c1-3-16-29-17-14-24(27(29,26(31)32)25(30)23(28)15-18-35-2)34(33,19-21-10-6-4-7-11-21)20-22-12-8-5-9-13-22/h4-13,23-24H,3,14-20,28H2,1-2H3,(H,31,32)