methyl (2S)-2-[2-[(E)-3-(5-bromanylfuran-2-yl)prop-2-enoyl]oxyethanoylamino]-4-methyl-pentanoate

Systemtic Name: methyl (2S)-2-[2-[(E)-3-(5-bromanylfuran-2-yl)prop-2-enoyl]oxyethanoylamino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[[2-[(E)-3-(5-bromo-2-furyl)prop-2-enoyl]oxyacetyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[2-[(E)-3-(5-bromo-2-furanyl)-1-oxoprop-2-enoxy]-1-oxoethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]oxyacetyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[2-[(E)-3-(5-bromo-2-furyl)acryloyl]oxyacetyl]amino]-4-methyl-valeric acid methyl ester Formula: C16H20BrNO6 MolecularWeight: 402.2371

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)COC(=O)C=CC1=CC=C(O1)Br

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)NC(=O)COC(=O)/C=C/C1=CC=C(O1)Br

InChI

InChI=1S/C16H20BrNO6/c1-10(2)8-12(16(21)22-3)18-14(19)9-23-15(20)7-5-11-4-6-13(17)24-11/h4-7,10,12H,8-9H2,1-3H3,(H,18,19)/b7-5+/t12-/m0/s1