tert-butyl (3S)-3-[[(2S)-1-(furan-2-ylmethylamino)-3-methyl-1-oxidanylidene-butan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl (3S)-3-[[(2S)-1-(furan-2-ylmethylamino)-3-methyl-1-oxidanylidene-butan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl (3S)-3-[[(1S)-1-(2-furylmethylcarbamoyl)-2-methyl-propyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (3S)-3-[[[(2S)-1-(2-furanylmethylamino)-3-methyl-1-oxobutan-2-yl]amino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[[(2S)-1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (3S)-3-[[(1S)-1-(2-furfurylcarbamoyl)-2-methyl-propyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C25H33N3O5 MolecularWeight: 455.54662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC=CO1)NC(=O)C2CC3=CC=CC=C3CN2C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1=CC=CO1)NC(=O)[C@@H]2CC3=CC=CC=C3CN2C(=O)OC(C)(C)C

InChI

InChI=1S/C25H33N3O5/c1-16(2)21(23(30)26-14-19-11-8-12-32-19)27-22(29)20-13-17-9-6-7-10-18(17)15-28(20)24(31)33-25(3,4)5/h6-12,16,20-21H,13-15H2,1-5H3,(H,26,30)(H,27,29)/t20-,21-/m0/s1