(2S)-1-[(2R)-2-(ethoxycarbonylamino)-3-methyl-3-propan-2-ylsulfanyl-butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(2R)-2-(ethoxycarbonylamino)-3-methyl-3-propan-2-ylsulfanyl-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2R)-2-(ethoxycarbonylamino)-3-isopropylsulfanyl-3-methyl-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(2R)-2-(ethoxycarbonylamino)-3-methyl-1-oxo-3-(propan-2-ylthio)butyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2R)-2-(ethoxycarbonylamino)-3-methyl-3-propan-2-ylsulfanylbutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2R)-2-(carbethoxyamino)-3-(isopropylthio)-3-methyl-butanoyl]proline Formula: C16H28N2O5S MolecularWeight: 360.46892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(C(=O)N1CCCC1C(=O)O)C(C)(C)SC(C)C

Isomeric SMILES

CCOC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C(C)(C)SC(C)C

InChI

InChI=1S/C16H28N2O5S/c1-6-23-15(22)17-12(16(4,5)24-10(2)3)13(19)18-9-7-8-11(18)14(20)21/h10-12H,6-9H2,1-5H3,(H,17,22)(H,20,21)/t11-,12+/m0/s1