1-[2-[(3-methyl-2-sulfanyl-butanoyl)amino]-3-phenylmethoxy-butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[(3-methyl-2-sulfanyl-butanoyl)amino]-3-phenylmethoxy-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-benzyloxy-2-[(3-methyl-2-sulfanyl-butanoyl)amino]butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[(2-mercapto-3-methyl-1-oxobutyl)amino]-1-oxo-3-phenylmethoxybutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[(3-methyl-2-sulfanylbutanoyl)amino]-3-phenylmethoxybutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-benzoxy-2-[(2-mercapto-3-methyl-butanoyl)amino]butanoyl]proline Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C(C)OCC1=CC=CC=C1)C(=O)N2CCCC2C(=O)O)S

Isomeric SMILES

CC(C)C(C(=O)NC(C(C)OCC1=CC=CC=C1)C(=O)N2CCCC2C(=O)O)S

InChI

InChI=1S/C21H30N2O5S/c1-13(2)18(29)19(24)22-17(14(3)28-12-15-8-5-4-6-9-15)20(25)23-11-7-10-16(23)21(26)27/h4-6,8-9,13-14,16-18,29H,7,10-12H2,1-3H3,(H,22,24)(H,26,27)