[2-[5-aminocarbonyloxy-3-[2-azanyl-1-[2,6-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl]isoquinolin-1-yl]-6-chloranyl-phenyl]methyl (2S)-2-azanyl-3-methyl-butanoate

Systemtic Name: [2-[5-aminocarbonyloxy-3-[2-azanyl-1-[2,6-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl]isoquinolin-1-yl]-6-chloranyl-phenyl]methyl (2S)-2-azanyl-3-methyl-butanoate Openeye Name: [2-[3-[2-amino-1-(2,6-difluorophenyl)-2-oxo-ethyl]-5-carbamoyloxy-1-isoquinolyl]-6-chloro-phenyl]methyl (2S)-2-amino-3-methyl-butanoate CAS Name: (2S)-2-amino-3-methylbutanoic acid [2-[3-[2-amino-1-(2,6-difluorophenyl)-2-oxoethyl]-5-carbamoyloxy-1-isoquinolinyl]-6-chlorophenyl]methyl ester IUPAC Name: [2-[3-[2-amino-1-(2,6-difluorophenyl)-2-oxoethyl]-5-carbamoyloxyisoquinolin-1-yl]-6-chlorophenyl]methyl (2S)-2-amino-3-methylbutanoate Traditional Name: (2S)-2-amino-3-methyl-butyric acid [2-[3-[2-amino-1-(2,6-difluorophenyl)-2-keto-ethyl]-5-carbamoyloxy-1-isoquinolyl]-6-chloro-benzyl] ester Formula: C30H27ClF2N4O5 MolecularWeight: 597.008986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=C(C=CC=C1Cl)C2=C3C=CC=C(C3=CC(=N2)C(C4=C(C=CC=C4F)F)C(=O)N)OC(=O)N)N

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=C(C=CC=C1Cl)C2=C3C=CC=C(C3=CC(=N2)C(C4=C(C=CC=C4F)F)C(=O)N)OC(=O)N)N

InChI

InChI=1S/C30H27ClF2N4O5/c1-14(2)26(34)29(39)41-13-18-16(6-3-8-19(18)31)27-15-7-4-11-23(42-30(36)40)17(15)12-22(37-27)25(28(35)38)24-20(32)9-5-10-21(24)33/h3-12,14,25-26H,13,34H2,1-2H3,(H2,35,38)(H2,36,40)/t25?,26-/m0/s1