methyl (2S)-2-[2-[[2-azanyl-5-(trifluoromethyl)phenyl]carbonylamino]ethanoylamino]-3-[(2,4-dimethylphenyl)methylamino]propanoate

Systemtic Name: methyl (2S)-2-[2-[[2-azanyl-5-(trifluoromethyl)phenyl]carbonylamino]ethanoylamino]-3-[(2,4-dimethylphenyl)methylamino]propanoate Openeye Name: methyl (2S)-2-[[2-[[2-amino-5-(trifluoromethyl)benzoyl]amino]acetyl]amino]-3-[(2,4-dimethylphenyl)methylamino]propanoate CAS Name: (2S)-2-[[2-[[[2-amino-5-(trifluoromethyl)phenyl]-oxomethyl]amino]-1-oxoethyl]amino]-3-[(2,4-dimethylphenyl)methylamino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-[[2-amino-5-(trifluoromethyl)benzoyl]amino]acetyl]amino]-3-[(2,4-dimethylphenyl)methylamino]propanoate Traditional Name: (2S)-2-[[2-[[2-amino-5-(trifluoromethyl)benzoyl]amino]acetyl]amino]-3-[(2,4-dimethylbenzyl)amino]propionic acid methyl ester Formula: C23H27F3N4O4 MolecularWeight: 480.48009

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CNCC(C(=O)OC)NC(=O)CNC(=O)C2=C(C=CC(=C2)C(F)(F)F)N)C

Isomeric SMILES

CC1=CC(=C(C=C1)CNC[C@@H](C(=O)OC)NC(=O)CNC(=O)C2=C(C=CC(=C2)C(F)(F)F)N)C

InChI

InChI=1S/C23H27F3N4O4/c1-13-4-5-15(14(2)8-13)10-28-11-19(22(33)34-3)30-20(31)12-29-21(32)17-9-16(23(24,25)26)6-7-18(17)27/h4-9,19,28H,10-12,27H2,1-3H3,(H,29,32)(H,30,31)/t19-/m0/s1