1-[1-[2-(phenylcarbamothioylamino)propanoyl]pyrrolidin-2-yl]carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1-[2-(phenylcarbamothioylamino)propanoyl]pyrrolidin-2-yl]carbonylpyrrolidine-2-carboxylic acid Openeye Name: 1-[1-[2-(phenylcarbamothioylamino)propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[1-[2-[[anilino(sulfanylidene)methyl]amino]-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1-[2-(phenylcarbamothioylamino)propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1-[2-(phenylthiocarbamoylamino)propanoyl]prolyl]proline Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1C(=O)N2CCCC2C(=O)O)NC(=S)NC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N1CCCC1C(=O)N2CCCC2C(=O)O)NC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C20H26N4O4S/c1-13(21-20(29)22-14-7-3-2-4-8-14)17(25)23-11-5-9-15(23)18(26)24-12-6-10-16(24)19(27)28/h2-4,7-8,13,15-16H,5-6,9-12H2,1H3,(H,27,28)(H2,21,22,29)