3-[[(2S,4S)-1-di(propan-2-yloxy)phosphoryl-4-sulfanyl-pyrrolidin-2-yl]carbonylamino]benzoic acid

Systemtic Name: 3-[[(2S,4S)-1-di(propan-2-yloxy)phosphoryl-4-sulfanyl-pyrrolidin-2-yl]carbonylamino]benzoic acid Openeye Name: 3-[[(2S,4S)-1-diisopropoxyphosphoryl-4-sulfanyl-pyrrolidine-2-carbonyl]amino]benzoic acid CAS Name: 3-[[[(2S,4S)-1-di(propan-2-yloxy)phosphoryl-4-mercapto-2-pyrrolidinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[(2S,4S)-1-di(propan-2-yloxy)phosphoryl-4-sulfanylpyrrolidine-2-carbonyl]amino]benzoic acid Traditional Name: 3-[[(2S,4S)-1-diisopropoxyphosphoryl-4-mercapto-prolyl]amino]benzoic acid Formula: C18H27N2O6PS MolecularWeight: 430.455541

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OP(=O)(N1CC(CC1C(=O)NC2=CC=CC(=C2)C(=O)O)S)OC(C)C

Isomeric SMILES

CC(C)OP(=O)(N1C[C@H](C[C@H]1C(=O)NC2=CC=CC(=C2)C(=O)O)S)OC(C)C

InChI

InChI=1S/C18H27N2O6PS/c1-11(2)25-27(24,26-12(3)4)20-10-15(28)9-16(20)17(21)19-14-7-5-6-13(8-14)18(22)23/h5-8,11-12,15-16,28H,9-10H2,1-4H3,(H,19,21)(H,22,23)/t15-,16-/m0/s1