tert-butyl 3-[2-diphenoxyphosphoryl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]ethyl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-[2-diphenoxyphosphoryl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]ethyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[2-[[(2S)-1-benzyloxycarbonylpyrrolidine-2-carbonyl]amino]-2-diphenoxyphosphoryl-ethyl]indole-1-carboxylate CAS Name: 3-[2-diphenoxyphosphoryl-2-[[oxo-[(2S)-1-phenylmethoxycarbonyl-2-pyrrolidinyl]methyl]amino]ethyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-diphenoxyphosphoryl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]ethyl]indole-1-carboxylate Traditional Name: 3-[2-[[(2S)-1-carbobenzoxyprolyl]amino]-2-diphenoxyphosphoryl-ethyl]indole-1-carboxylic acid tert-butyl ester Formula: C40H42N3O8P MolecularWeight: 723.750541

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)CC(NC(=O)C3CCCN3C(=O)OCC4=CC=CC=C4)P(=O)(OC5=CC=CC=C5)OC6=CC=CC=C6

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)CC(NC(=O)[C@@H]3CCCN3C(=O)OCC4=CC=CC=C4)P(=O)(OC5=CC=CC=C5)OC6=CC=CC=C6

InChI

InChI=1S/C40H42N3O8P/c1-40(2,3)49-39(46)43-27-30(33-22-13-14-23-34(33)43)26-36(52(47,50-31-18-9-5-10-19-31)51-32-20-11-6-12-21-32)41-37(44)35-24-15-25-42(35)38(45)48-28-29-16-7-4-8-17-29/h4-14,16-23,27,35-36H,15,24-26,28H2,1-3H3,(H,41,44)/t35-,36?/m0/s1