3-[[1-[1-[(2S)-2-cyclohexyl-2-sulfanyl-ethanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[1-[1-[(2S)-2-cyclohexyl-2-sulfanyl-ethanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[[1-[1-[(2S)-2-cyclohexyl-2-sulfanyl-acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-[[[1-[[1-[(2S)-2-cyclohexyl-2-mercapto-1-oxoethyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[1-[1-[(2S)-2-cyclohexyl-2-sulfanylacetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-[[1-[1-[(2S)-2-cyclohexyl-2-mercapto-acetyl]prolyl]prolyl]amino]propionic acid Formula: C21H33N3O5S MolecularWeight: 439.56882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C(=O)N2CCCC2C(=O)N3CCCC3C(=O)NCCC(=O)O)S

Isomeric SMILES

C1CCC(CC1)[C@@H](C(=O)N2CCCC2C(=O)N3CCCC3C(=O)NCCC(=O)O)S

InChI

InChI=1S/C21H33N3O5S/c25-17(26)10-11-22-19(27)15-8-4-12-23(15)20(28)16-9-5-13-24(16)21(29)18(30)14-6-2-1-3-7-14/h14-16,18,30H,1-13H2,(H,22,27)(H,25,26)/t15?,16?,18-/m0/s1