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

Systemtic Name: tert-butyl (3S)-3-[[(2S)-1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl (3S)-3-[[(1S)-2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (3S)-3-[[[(2S)-1-(2-furanylmethylamino)-1-oxopropan-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)-1-oxopropan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (3S)-3-[[(1S)-2-(2-furfurylamino)-2-keto-1-methyl-ethyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C23H29N3O5 MolecularWeight: 427.49346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O5/c1-15(20(27)24-13-18-10-7-11-30-18)25-21(28)19-12-16-8-5-6-9-17(16)14-26(19)22(29)31-23(2,3)4/h5-11,15,19H,12-14H2,1-4H3,(H,24,27)(H,25,28)/t15-,19-/m0/s1