5-[[(2S,4S)-1-di(propan-2-yloxy)phosphoryl-4-sulfanyl-pyrrolidin-2-yl]carbonylamino]thiophene-2-carboxylic acid

Systemtic Name: 5-[[(2S,4S)-1-di(propan-2-yloxy)phosphoryl-4-sulfanyl-pyrrolidin-2-yl]carbonylamino]thiophene-2-carboxylic acid Openeye Name: 5-[[(2S,4S)-1-diisopropoxyphosphoryl-4-sulfanyl-pyrrolidine-2-carbonyl]amino]thiophene-2-carboxylic acid CAS Name: 5-[[[(2S,4S)-1-di(propan-2-yloxy)phosphoryl-4-mercapto-2-pyrrolidinyl]-oxomethyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 5-[[(2S,4S)-1-di(propan-2-yloxy)phosphoryl-4-sulfanylpyrrolidine-2-carbonyl]amino]thiophene-2-carboxylic acid Traditional Name: 5-[[(2S,4S)-1-diisopropoxyphosphoryl-4-mercapto-prolyl]amino]-2-thenoic acid Formula: C16H25N2O6PS2 MolecularWeight: 436.483261

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OP(=O)(N1CC(CC1C(=O)NC2=CC=C(S2)C(=O)O)S)OC(C)C

Isomeric SMILES

CC(C)OP(=O)(N1C[C@H](C[C@H]1C(=O)NC2=CC=C(S2)C(=O)O)S)OC(C)C

InChI

InChI=1S/C16H25N2O6PS2/c1-9(2)23-25(22,24-10(3)4)18-8-11(26)7-12(18)15(19)17-14-6-5-13(27-14)16(20)21/h5-6,9-12,26H,7-8H2,1-4H3,(H,17,19)(H,20,21)/t11-,12-/m0/s1