(phenylmethyl) N-[(E)-azanyl-[4-[[2-[6-[3-azanyl-5-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2-oxidanylidene-3-(propan-2-ylamino)pyrazin-1-yl]ethanoylamino]methyl]-2,3,5-tris(fluoranyl)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]methyl]carbamate

Systemtic Name: (phenylmethyl) N-[(E)-azanyl-[4-[[2-[6-[3-azanyl-5-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2-oxidanylidene-3-(propan-2-ylamino)pyrazin-1-yl]ethanoylamino]methyl]-2,3,5-tris(fluoranyl)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]methyl]carbamate Openeye Name: benzyl N-[(E)-amino-[4-[[[2-[6-[3-amino-5-[[(1R)-1-methylpropyl]carbamoyl]phenyl]-3-(isopropylamino)-2-oxo-pyrazin-1-yl]acetyl]amino]methyl]-2,3,5-trifluoro-6-oxo-cyclohexa-2,4-dien-1-ylidene]methyl]carbamate CAS Name: N-[(E)-amino-[4-[[[2-[6-[3-amino-5-[[[(2R)-butan-2-yl]amino]-oxomethyl]phenyl]-2-oxo-3-(propan-2-ylamino)-1-pyrazinyl]-1-oxoethyl]amino]methyl]-2,3,5-trifluoro-6-oxo-1-cyclohexa-2,4-dienylidene]methyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(E)-amino-[4-[[[2-[6-[3-amino-5-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2-oxo-3-(propan-2-ylamino)pyrazin-1-yl]acetyl]amino]methyl]-2,3,5-trifluoro-6-oxocyclohexa-2,4-dien-1-ylidene]methyl]carbamate Traditional Name: N-[(E)-amino-[4-[[[2-[6-[3-amino-5-[[(1R)-1-methylpropyl]carbamoyl]phenyl]-3-(isopropylamino)-2-keto-pyrazin-1-yl]acetyl]amino]methyl]-2,3,5-trifluoro-6-keto-cyclohexa-2,4-dien-1-ylidene]methyl]carbamic acid benzyl ester Formula: C36H39F3N8O6 MolecularWeight: 736.74007

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC(=CC(=C1)C2=CN=C(C(=O)N2CC(=O)NCC3=C(C(=O)C(=C(N)NC(=O)OCC4=CC=CC=C4)C(=C3F)F)F)NC(C)C)N

Isomeric SMILES

CC[C@@H](C)NC(=O)C1=CC(=CC(=C1)C2=CN=C(C(=O)N2CC(=O)NCC3=C(C(=O)/C(=C(/N)\NC(=O)OCC4=CC=CC=C4)/C(=C3F)F)F)NC(C)C)N

InChI

InChI=1S/C36H39F3N8O6/c1-5-19(4)45-34(50)22-11-21(12-23(40)13-22)25-15-43-33(44-18(2)3)35(51)47(25)16-26(48)42-14-24-28(37)30(39)27(31(49)29(24)38)32(41)46-36(52)53-17-20-9-7-6-8-10-20/h6-13,15,18-19H,5,14,16-17,40-41H2,1-4H3,(H,42,48)(H,43,44)(H,45,50)(H,46,52)/b32-27-/t19-/m1/s1