ethyl (E,4S)-4-[[(2S)-2-[[(2S)-3-(2-methoxyphenyl)-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-[[(2S)-3-(2-methoxyphenyl)-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-[[(2S)-3-(2-methoxyphenyl)-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-[[(2S)-3-(2-methoxyphenyl)-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-[[(2S)-3-(2-methoxyphenyl)-3-methyl-2-(methylamino)butanoyl]amino]-3,3-dimethylbutanoyl]-methylamino]-2,5-dimethylhex-2-enoate Traditional Name: (E,4S)-4-[[(2S)-2-[[(2S)-3-(2-methoxyphenyl)-3-methyl-2-(methylamino)butanoyl]amino]-3,3-dimethyl-butanoyl]-methyl-amino]-2,5-dimethyl-hex-2-enoic acid ethyl ester Formula: C30H49N3O5 MolecularWeight: 531.72716

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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=C1OC)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=C1OC)NC)/C

InChI

InChI=1S/C30H49N3O5/c1-13-38-28(36)20(4)18-22(19(2)3)33(11)27(35)25(29(5,6)7)32-26(34)24(31-10)30(8,9)21-16-14-15-17-23(21)37-12/h14-19,22,24-25,31H,13H2,1-12H3,(H,32,34)/b20-18+/t22-,24-,25-/m1/s1