(phenylmethyl) (NE)-N-[azanyl-[(3S)-2-oxidanylidene-3-[[(2S)-1-[(2R)-2-phenyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]propanoyl]azetidin-2-yl]carbonylamino]piperidin-1-yl]methylidene]carbamate

Systemtic Name: (phenylmethyl) (NE)-N-[azanyl-[(3S)-2-oxidanylidene-3-[[(2S)-1-[(2R)-2-phenyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]propanoyl]azetidin-2-yl]carbonylamino]piperidin-1-yl]methylidene]carbamate Openeye Name: benzyl (NE)-N-[amino-[(3S)-2-oxo-3-[[(2S)-1-[(2R)-2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]azetidine-2-carbonyl]amino]-1-piperidyl]methylene]carbamate CAS Name: (NE)-N-[amino-[(3S)-2-oxo-3-[[oxo-[(2S)-1-[(2R)-1-oxo-2-phenyl-2-[(2,2,2-trifluoro-1-oxoethyl)amino]propyl]-2-azetidinyl]methyl]amino]-1-piperidinyl]methylidene]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl (NE)-N-[amino-[(3S)-2-oxo-3-[[(2S)-1-[(2R)-2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]azetidine-2-carbonyl]amino]piperidin-1-yl]methylidene]carbamate Traditional Name: (NE)-N-[amino-[(3S)-2-keto-3-[[(2S)-1-[(2R)-2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]azetidine-2-carbonyl]amino]piperidino]methylene]carbamic acid benzyl ester Formula: C29H31F3N6O6 MolecularWeight: 616.58825

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)(C(=O)N2CCC2C(=O)NC3CCCN(C3=O)C(=NC(=O)OCC4=CC=CC=C4)N)NC(=O)C(F)(F)F

Isomeric SMILES

C[C@@](C1=CC=CC=C1)(C(=O)N2CC[C@H]2C(=O)N[C@H]3CCCN(C3=O)/C(=N/C(=O)OCC4=CC=CC=C4)/N)NC(=O)C(F)(F)F

InChI

InChI=1S/C29H31F3N6O6/c1-28(19-11-6-3-7-12-19,36-24(41)29(30,31)32)25(42)37-16-14-21(37)22(39)34-20-13-8-15-38(23(20)40)26(33)35-27(43)44-17-18-9-4-2-5-10-18/h2-7,9-12,20-21H,8,13-17H2,1H3,(H,34,39)(H,36,41)(H2,33,35,43)/t20-,21-,28+/m0/s1