(E,4S)-4-[[(2S)-2-[[(2S)-3,3-dimethyl-2-(methylamino)-4-phenyl-butanoyl]amino]-3,3-dimethyl-butanoyl]-methyl-amino]-2,5-dimethyl-hex-2-enoic acid; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: (E,4S)-4-[[(2S)-2-[[(2S)-3,3-dimethyl-2-(methylamino)-4-phenyl-butanoyl]amino]-3,3-dimethyl-butanoyl]-methyl-amino]-2,5-dimethyl-hex-2-enoic acid; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: (E,4S)-4-[[(2S)-2-[[(2S)-3,3-dimethyl-2-(methylamino)-4-phenyl-butanoyl]amino]-3,3-dimethyl-butanoyl]-methyl-amino]-2,5-dimethyl-hex-2-enoic acid; 2,2,2-trifluoroacetic acid CAS Name: (E,4S)-4-[[(2S)-2-[[(2S)-3,3-dimethyl-2-(methylamino)-1-oxo-4-phenylbutyl]amino]-3,3-dimethyl-1-oxobutyl]-methylamino]-2,5-dimethyl-2-hexenoic acid; 2,2,2-trifluoroacetic acid IUPAC Name: (E,4S)-4-[[(2S)-2-[[(2S)-3,3-dimethyl-2-(methylamino)-4-phenylbutanoyl]amino]-3,3-dimethylbutanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid; 2,2,2-trifluoroacetic acid Traditional Name: (E,4S)-4-[[(2S)-2-[[(2S)-3,3-dimethyl-2-(methylamino)-4-phenyl-butanoyl]amino]-3,3-dimethyl-butanoyl]-methyl-amino]-2,5-dimethyl-hex-2-enoic acid; 2,2,2-trifluoroacetic acid Formula: C30H46F3N3O6 MolecularWeight: 601.69795

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C=C(C)C(=O)O)N(C)C(=O)C(C(C)(C)C)NC(=O)C(C(C)(C)CC1=CC=CC=C1)NC.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC(C)[C@@H](/C=C(\C)/C(=O)O)N(C)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C(C)(C)CC1=CC=CC=C1)NC.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C28H45N3O4.C2HF3O2/c1-18(2)21(16-19(3)26(34)35)31(10)25(33)23(27(4,5)6)30-24(32)22(29-9)28(7,8)17-20-14-12-11-13-15-20;3-2(4,5)1(6)7/h11-16,18,21-23,29H,17H2,1-10H3,(H,30,32)(H,34,35);(H,6,7)/b19-16+;/t21-,22-,23-;/m1./s1