ethyl (E,4S)-4-[[(2S)-2-[[(2R)-3-(3,5-dimethylphenyl)-3-methyl-2-(methylamino)butanoyl]amino]-3,3-dimethyl-butanoyl]-methyl-amino]-2,5-dimethyl-hex-2-enoate

Systemtic Name: ethyl (E,4S)-4-[[(2S)-2-[[(2R)-3-(3,5-dimethylphenyl)-3-methyl-2-(methylamino)butanoyl]amino]-3,3-dimethyl-butanoyl]-methyl-amino]-2,5-dimethyl-hex-2-enoate Openeye Name: ethyl (E,4S)-4-[[(2S)-2-[[(2R)-3-(3,5-dimethylphenyl)-3-methyl-2-(methylamino)butanoyl]amino]-3,3-dimethyl-butanoyl]-methyl-amino]-2,5-dimethyl-hex-2-enoate CAS Name: (E,4S)-4-[[(2S)-2-[[(2R)-3-(3,5-dimethylphenyl)-3-methyl-2-(methylamino)-1-oxobutyl]amino]-3,3-dimethyl-1-oxobutyl]-methylamino]-2,5-dimethyl-2-hexenoic acid ethyl ester IUPAC Name: ethyl (E,4S)-4-[[(2S)-2-[[(2R)-3-(3,5-dimethylphenyl)-3-methyl-2-(methylamino)butanoyl]amino]-3,3-dimethylbutanoyl]-methylamino]-2,5-dimethylhex-2-enoate Traditional Name: (E,4S)-4-[[(2S)-2-[[(2R)-3-(3,5-dimethylphenyl)-3-methyl-2-(methylamino)butanoyl]amino]-3,3-dimethyl-butanoyl]-methyl-amino]-2,5-dimethyl-hex-2-enoic acid ethyl ester Formula: C31H51N3O4 MolecularWeight: 529.75434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC(C(C)C)N(C)C(=O)C(C(C)(C)C)NC(=O)C(C(C)(C)C1=CC(=CC(=C1)C)C)NC)C

Isomeric SMILES

CCOC(=O)/C(=C/[C@H](C(C)C)N(C)C(=O)[C@H](C(C)(C)C)NC(=O)[C@@H](C(C)(C)C1=CC(=CC(=C1)C)C)NC)/C

InChI

InChI=1S/C31H51N3O4/c1-14-38-29(37)22(6)18-24(19(2)3)34(13)28(36)26(30(7,8)9)33-27(35)25(32-12)31(10,11)23-16-20(4)15-21(5)17-23/h15-19,24-26,32H,14H2,1-13H3,(H,33,35)/b22-18+/t24-,25+,26-/m1/s1