tert-butyl 3-[[(1S)-5-acetamido-1-(1H-benzimidazol-2-yl)pentyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 3-[[(1S)-5-acetamido-1-(1H-benzimidazol-2-yl)pentyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 3-[[(1S)-5-acetamido-1-(1H-benzimidazol-2-yl)pentyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3-[[[(1S)-5-acetamido-1-(1H-benzimidazol-2-yl)pentyl]amino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[(1S)-5-acetamido-1-(1H-benzimidazol-2-yl)pentyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3-[[(1S)-5-acetamido-1-(1H-benzimidazol-2-yl)pentyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C29H37N5O4 MolecularWeight: 519.63518

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3CC4=CC=CC=C4CN3C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)NCCCC[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)C3CC4=CC=CC=C4CN3C(=O)OC(C)(C)C

InChI

InChI=1S/C29H37N5O4/c1-19(35)30-16-10-9-15-24(26-31-22-13-7-8-14-23(22)32-26)33-27(36)25-17-20-11-5-6-12-21(20)18-34(25)28(37)38-29(2,3)4/h5-8,11-14,24-25H,9-10,15-18H2,1-4H3,(H,30,35)(H,31,32)(H,33,36)/t24-,25?/m0/s1