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

Systemtic Name: ethyl (E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-thiophen-3-yl-butanoyl]amino]butanoyl]-methyl-amino]-2,5-dimethyl-hex-2-enoate Openeye Name: ethyl (E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-(3-thienyl)butanoyl]amino]butanoyl]-methyl-amino]-2,5-dimethyl-hex-2-enoate CAS Name: (E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-(methylamino)-1-oxo-3-(3-thiophenyl)butyl]amino]-1-oxobutyl]-methylamino]-2,5-dimethyl-2-hexenoic acid ethyl ester IUPAC Name: ethyl (E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-thiophen-3-ylbutanoyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoate Traditional Name: (E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-(3-thienyl)butanoyl]amino]butanoyl]-methyl-amino]-2,5-dimethyl-hex-2-enoic acid ethyl ester Formula: C27H45N3O4S MolecularWeight: 507.7289

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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=CSC=C1)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=CSC=C1)NC)/C

InChI

InChI=1S/C27H45N3O4S/c1-12-34-25(33)18(4)15-20(17(2)3)30(11)24(32)22(26(5,6)7)29-23(31)21(28-10)27(8,9)19-13-14-35-16-19/h13-17,20-22,28H,12H2,1-11H3,(H,29,31)/b18-15+/t20-,21-,22-/m1/s1