tert-butyl N-[(2S)-1-cyclohexyl-3-[(2S)-2-(4-phenylbutylcarbamoyl)pyrrolidin-1-yl]propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-cyclohexyl-3-[(2S)-2-(4-phenylbutylcarbamoyl)pyrrolidin-1-yl]propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-(cyclohexylmethyl)-2-[(2S)-2-(4-phenylbutylcarbamoyl)pyrrolidin-1-yl]ethyl]carbamate CAS Name: N-[(2S)-1-cyclohexyl-3-[(2S)-2-[oxo-(4-phenylbutylamino)methyl]-1-pyrrolidinyl]propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-cyclohexyl-3-[(2S)-2-(4-phenylbutylcarbamoyl)pyrrolidin-1-yl]propan-2-yl]carbamate Traditional Name: N-[(1S)-1-(cyclohexylmethyl)-2-[(2S)-2-(4-phenylbutylcarbamoyl)pyrrolidino]ethyl]carbamic acid tert-butyl ester Formula: C29H47N3O3 MolecularWeight: 485.70178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1CCCCC1)CN2CCCC2C(=O)NCCCCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)CN2CCC[C@H]2C(=O)NCCCCC3=CC=CC=C3

InChI

InChI=1S/C29H47N3O3/c1-29(2,3)35-28(34)31-25(21-24-16-8-5-9-17-24)22-32-20-12-18-26(32)27(33)30-19-11-10-15-23-13-6-4-7-14-23/h4,6-7,13-14,24-26H,5,8-12,15-22H2,1-3H3,(H,30,33)(H,31,34)/t25-,26-/m0/s1