ethyl (E,4S)-4-[[(2S)-2-[[(2S)-3-(4-chlorophenyl)-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-(4-chlorophenyl)-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-(4-chlorophenyl)-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-(4-chlorophenyl)-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-(4-chlorophenyl)-3-methyl-2-(methylamino)butanoyl]amino]-3,3-dimethylbutanoyl]-methylamino]-2,5-dimethylhex-2-enoate Traditional Name: (E,4S)-4-[[(2S)-2-[[(2S)-3-(4-chlorophenyl)-3-methyl-2-(methylamino)butanoyl]amino]-3,3-dimethyl-butanoyl]-methyl-amino]-2,5-dimethyl-hex-2-enoic acid ethyl ester Formula: C29H46ClN3O4 MolecularWeight: 536.14624

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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=C(C=C1)Cl)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=C(C=C1)Cl)NC)/C

InChI

InChI=1S/C29H46ClN3O4/c1-12-37-27(36)19(4)17-22(18(2)3)33(11)26(35)24(28(5,6)7)32-25(34)23(31-10)29(8,9)20-13-15-21(30)16-14-20/h13-18,22-24,31H,12H2,1-11H3,(H,32,34)/b19-17+/t22-,23-,24-/m1/s1