propan-2-yl N-[1-[[(2S)-1-(isoquinolin-3-ylcarbonylamino)-3-methyl-butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: propan-2-yl N-[1-[[(2S)-1-(isoquinolin-3-ylcarbonylamino)-3-methyl-butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: isopropyl N-[1-[[(1S)-1-[(isoquinoline-3-carbonylamino)methyl]-2-methyl-propyl]carbamoyl]-2-methyl-propyl]carbamate CAS Name: N-[1-[[(2S)-1-[[3-isoquinolinyl(oxo)methyl]amino]-3-methylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid propan-2-yl ester IUPAC Name: propan-2-yl N-[1-[[(2S)-1-(isoquinoline-3-carbonylamino)-3-methylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[1-[[(1S)-1-[(isoquinoline-3-carbonylamino)methyl]-2-methyl-propyl]carbamoyl]-2-methyl-propyl]carbamic acid isopropyl ester Formula: C24H34N4O4 MolecularWeight: 442.55116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC(=O)C1=CC2=CC=CC=C2C=N1)NC(=O)C(C(C)C)NC(=O)OC(C)C

Isomeric SMILES

CC(C)[C@@H](CNC(=O)C1=CC2=CC=CC=C2C=N1)NC(=O)C(C(C)C)NC(=O)OC(C)C

InChI

InChI=1S/C24H34N4O4/c1-14(2)20(27-23(30)21(15(3)4)28-24(31)32-16(5)6)13-26-22(29)19-11-17-9-7-8-10-18(17)12-25-19/h7-12,14-16,20-21H,13H2,1-6H3,(H,26,29)(H,27,30)(H,28,31)/t20-,21?/m1/s1