tert-butyl (3S)-3-[[4-(cyclopentylcarbamoyl)cyclohexyl]methylcarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl (3S)-3-[[4-(cyclopentylcarbamoyl)cyclohexyl]methylcarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl (3S)-3-[[4-(cyclopentylcarbamoyl)cyclohexyl]methylcarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (3S)-3-[[[4-[(cyclopentylamino)-oxomethyl]cyclohexyl]methylamino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[[4-(cyclopentylcarbamoyl)cyclohexyl]methylcarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (3S)-3-[[4-(cyclopentylcarbamoyl)cyclohexyl]methylcarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C28H41N3O4 MolecularWeight: 483.64284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)NCC3CCC(CC3)C(=O)NC4CCCC4

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)NCC3CCC(CC3)C(=O)NC4CCCC4

InChI

InChI=1S/C28H41N3O4/c1-28(2,3)35-27(34)31-18-22-9-5-4-8-21(22)16-24(31)26(33)29-17-19-12-14-20(15-13-19)25(32)30-23-10-6-7-11-23/h4-5,8-9,19-20,23-24H,6-7,10-18H2,1-3H3,(H,29,33)(H,30,32)/t19?,20?,24-/m0/s1