tert-butyl (3S)-3-[(2S)-2-(cyclopentylcarbamoyl)pyrrolidin-1-yl]carbonyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl (3S)-3-[(2S)-2-(cyclopentylcarbamoyl)pyrrolidin-1-yl]carbonyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl (3S)-3-[(2S)-2-(cyclopentylcarbamoyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (3S)-3-[[(2S)-2-[(cyclopentylamino)-oxomethyl]-1-pyrrolidinyl]-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[(2S)-2-(cyclopentylcarbamoyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (3S)-3-[(2S)-2-(cyclopentylcarbamoyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C25H35N3O4 MolecularWeight: 441.5631

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)N3CCCC3C(=O)NC4CCCC4

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)N3CCC[C@H]3C(=O)NC4CCCC4

InChI

InChI=1S/C25H35N3O4/c1-25(2,3)32-24(31)28-16-18-10-5-4-9-17(18)15-21(28)23(30)27-14-8-13-20(27)22(29)26-19-11-6-7-12-19/h4-5,9-10,19-21H,6-8,11-16H2,1-3H3,(H,26,29)/t20-,21-/m0/s1