tert-butyl N-[(2S)-1-[(3S)-3-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxidanyl-butan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[(3S)-3-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxidanyl-butan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-[(3S)-3-[[(1S)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)-hydroxy-methyl]-2-methyl-propyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]-2-methyl-propyl]carbamate CAS Name: N-[(2S)-1-[(3S)-3-[[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-hydroxy-3-methylbutan-2-yl]amino]-oxomethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[(3S)-3-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1S)-1-[(3S)-3-[[(1S)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)-hydroxy-methyl]-2-methyl-propyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]-2-methyl-propyl]carbamic acid tert-butyl ester Formula: C31H47N5O6 MolecularWeight: 585.73478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C1=NN=C(O1)C(C)(C)C)O)NC(=O)C2CC3=CC=CC=C3CN2C(=O)C(C(C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)[C@@H](C(C1=NN=C(O1)C(C)(C)C)O)NC(=O)[C@@H]2CC3=CC=CC=C3CN2C(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C31H47N5O6/c1-17(2)22(24(37)26-34-35-28(41-26)30(5,6)7)32-25(38)21-15-19-13-11-12-14-20(19)16-36(21)27(39)23(18(3)4)33-29(40)42-31(8,9)10/h11-14,17-18,21-24,37H,15-16H2,1-10H3,(H,32,38)(H,33,40)/t21-,22-,23-,24?/m0/s1