(2S,4R)-4-tert-butylsulfanyl-1-[(2S)-2-cyclohexyl-2-(2-methylpropoxycarbonylamino)ethanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,4R)-4-tert-butylsulfanyl-1-[(2S)-2-cyclohexyl-2-(2-methylpropoxycarbonylamino)ethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S,4R)-4-tert-butylsulfanyl-1-[(2S)-2-cyclohexyl-2-(isobutoxycarbonylamino)acetyl]pyrrolidine-2-carboxylic acid CAS Name: (2S,4R)-4-(tert-butylthio)-1-[(2S)-2-cyclohexyl-2-[[2-methylpropoxy(oxo)methyl]amino]-1-oxoethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4R)-4-tert-butylsulfanyl-1-[(2S)-2-cyclohexyl-2-(2-methylpropoxycarbonylamino)acetyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S,4R)-4-(tert-butylthio)-1-[(2S)-2-cyclohexyl-2-(isobutoxycarbonylamino)acetyl]proline Formula: C22H38N2O5S MolecularWeight: 442.61252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)NC(C1CCCCC1)C(=O)N2CC(CC2C(=O)O)SC(C)(C)C

Isomeric SMILES

CC(C)COC(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@@H](C[C@H]2C(=O)O)SC(C)(C)C

InChI

InChI=1S/C22H38N2O5S/c1-14(2)13-29-21(28)23-18(15-9-7-6-8-10-15)19(25)24-12-16(30-22(3,4)5)11-17(24)20(26)27/h14-18H,6-13H2,1-5H3,(H,23,28)(H,26,27)/t16-,17+,18+/m1/s1