methyl (2S)-3-methyl-2-[[(2S)-2-[[(2S)-3-methyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]butanoyl]amino]-3-[4-(oxiran-2-ylmethoxy)phenyl]propanoyl]amino]butanoate

Systemtic Name: methyl (2S)-3-methyl-2-[[(2S)-2-[[(2S)-3-methyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]butanoyl]amino]-3-[4-(oxiran-2-ylmethoxy)phenyl]propanoyl]amino]butanoate Openeye Name: methyl (2S)-3-methyl-2-[[(2S)-2-[[(2S)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]amino]-3-[4-(oxiran-2-ylmethoxy)phenyl]propanoyl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[(2S)-2-[[(2S)-3-methyl-1-oxo-2-[(2,2,2-trifluoro-1-oxoethyl)amino]butyl]amino]-3-[4-(2-oxiranylmethoxy)phenyl]-1-oxopropyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-3-methyl-2-[[(2S)-2-[[(2S)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]amino]-3-[4-(oxiran-2-ylmethoxy)phenyl]propanoyl]amino]butanoate Traditional Name: (2S)-2-[[(2S)-3-(4-glycidoxyphenyl)-2-[[(2S)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]amino]propanoyl]amino]-3-methyl-butyric acid methyl ester Formula: C25H34F3N3O7 MolecularWeight: 545.54857

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CC=C(C=C1)OCC2CO2)C(=O)NC(C(C)C)C(=O)OC)NC(=O)C(F)(F)F

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)OCC2CO2)C(=O)N[C@@H](C(C)C)C(=O)OC)NC(=O)C(F)(F)F

InChI

InChI=1S/C25H34F3N3O7/c1-13(2)19(31-24(35)25(26,27)28)22(33)29-18(21(32)30-20(14(3)4)23(34)36-5)10-15-6-8-16(9-7-15)37-11-17-12-38-17/h6-9,13-14,17-20H,10-12H2,1-5H3,(H,29,33)(H,30,32)(H,31,35)/t17?,18-,19-,20-/m0/s1