tert-butyl 3-[[(2S,3R)-4-[cyclohexylcarbonyl(ethyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamoyl]-5-(2-oxidanylidenepyrrolidin-1-yl)benzoate

Systemtic Name: tert-butyl 3-[[(2S,3R)-4-[cyclohexylcarbonyl(ethyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamoyl]-5-(2-oxidanylidenepyrrolidin-1-yl)benzoate Openeye Name: tert-butyl 3-[[(1S,2R)-1-benzyl-3-[cyclohexanecarbonyl(ethyl)amino]-2-hydroxy-propyl]carbamoyl]-5-(2-oxopyrrolidin-1-yl)benzoate CAS Name: 3-[[[(2S,3R)-4-[[cyclohexyl(oxo)methyl]-ethylamino]-3-hydroxy-1-phenylbutan-2-yl]amino]-oxomethyl]-5-(2-oxo-1-pyrrolidinyl)benzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[(2S,3R)-4-[cyclohexanecarbonyl(ethyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamoyl]-5-(2-oxopyrrolidin-1-yl)benzoate Traditional Name: 3-[[(1S,2R)-1-benzyl-3-[cyclohexanecarbonyl(ethyl)amino]-2-hydroxy-propyl]carbamoyl]-5-(2-ketopyrrolidino)benzoic acid tert-butyl ester Formula: C35H47N3O6 MolecularWeight: 605.76418

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(C(CC1=CC=CC=C1)NC(=O)C2=CC(=CC(=C2)N3CCCC3=O)C(=O)OC(C)(C)C)O)C(=O)C4CCCCC4

Isomeric SMILES

CCN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)C2=CC(=CC(=C2)N3CCCC3=O)C(=O)OC(C)(C)C)O)C(=O)C4CCCCC4

InChI

InChI=1S/C35H47N3O6/c1-5-37(33(42)25-15-10-7-11-16-25)23-30(39)29(19-24-13-8-6-9-14-24)36-32(41)26-20-27(34(43)44-35(2,3)4)22-28(21-26)38-18-12-17-31(38)40/h6,8-9,13-14,20-22,25,29-30,39H,5,7,10-12,15-19,23H2,1-4H3,(H,36,41)/t29-,30+/m0/s1