methyl (2R,3S)-2-[2-(4-bromanyl-5-methanoyl-2-methoxy-phenoxy)ethanoylamino]-3-methyl-pentanoate

Systemtic Name: methyl (2R,3S)-2-[2-(4-bromanyl-5-methanoyl-2-methoxy-phenoxy)ethanoylamino]-3-methyl-pentanoate Openeye Name: methyl (2R,3S)-2-[[2-(4-bromo-5-formyl-2-methoxy-phenoxy)acetyl]amino]-3-methyl-pentanoate CAS Name: (2R,3S)-2-[[2-(4-bromo-5-formyl-2-methoxyphenoxy)-1-oxoethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl (2R,3S)-2-[[2-(4-bromo-5-formyl-2-methoxyphenoxy)acetyl]amino]-3-methylpentanoate Traditional Name: (2R,3S)-2-[[2-(4-bromo-5-formyl-2-methoxy-phenoxy)acetyl]amino]-3-methyl-valeric acid methyl ester Formula: C17H22BrNO6 MolecularWeight: 416.26368

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)COC1=C(C=C(C(=C1)C=O)Br)OC

Isomeric SMILES

CC[C@H](C)[C@H](C(=O)OC)NC(=O)COC1=C(C=C(C(=C1)C=O)Br)OC

InChI

InChI=1S/C17H22BrNO6/c1-5-10(2)16(17(22)24-4)19-15(21)9-25-14-6-11(8-20)12(18)7-13(14)23-3/h6-8,10,16H,5,9H2,1-4H3,(H,19,21)/t10-,16+/m0/s1