2-(2-azanylpropanoyl)-1-[2,3-bis(phenylcarbonylsulfanyl)propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 2-(2-azanylpropanoyl)-1-[2,3-bis(phenylcarbonylsulfanyl)propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 2-(2-aminopropanoyl)-1-[2,3-bis(benzoylsulfanyl)propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 2-(2-amino-1-oxopropyl)-1-[2,3-bis(benzoylthio)-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 2-(2-aminopropanoyl)-1-[2,3-bis(benzoylsulfanyl)propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 2-alanyl-1-[2,3-bis(benzoylthio)propanoyl]proline Formula: C25H26N2O6S2 MolecularWeight: 514.61374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1(CCCN1C(=O)C(CSC(=O)C2=CC=CC=C2)SC(=O)C3=CC=CC=C3)C(=O)O)N

Isomeric SMILES

CC(C(=O)C1(CCCN1C(=O)C(CSC(=O)C2=CC=CC=C2)SC(=O)C3=CC=CC=C3)C(=O)O)N

InChI

InChI=1S/C25H26N2O6S2/c1-16(26)20(28)25(24(32)33)13-8-14-27(25)21(29)19(35-23(31)18-11-6-3-7-12-18)15-34-22(30)17-9-4-2-5-10-17/h2-7,9-12,16,19H,8,13-15,26H2,1H3,(H,32,33)