methyl (2R,3S)-2-[[(2S,3R)-6-bromanyl-2-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl]oxycarbonylamino]-3-methyl-pentanoate

Systemtic Name: methyl (2R,3S)-2-[[(2S,3R)-6-bromanyl-2-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl]oxycarbonylamino]-3-methyl-pentanoate Openeye Name: methyl (2R,3S)-2-[[(2S,3R)-6-bromo-2-(3-methoxyphenyl)chroman-3-yl]oxycarbonylamino]-3-methyl-pentanoate CAS Name: (2R,3S)-2-[[[(2S,3R)-6-bromo-2-(3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl]oxy-oxomethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl (2R,3S)-2-[[(2S,3R)-6-bromo-2-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl]oxycarbonylamino]-3-methylpentanoate Traditional Name: (2R,3S)-2-[[(2S,3R)-6-bromo-2-(3-methoxyphenyl)chroman-3-yl]oxycarbonylamino]-3-methyl-valeric acid methyl ester Formula: C24H28BrNO6 MolecularWeight: 506.38622

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)OC1CC2=C(C=CC(=C2)Br)OC1C3=CC(=CC=C3)OC

Isomeric SMILES

CC[C@H](C)[C@H](C(=O)OC)NC(=O)O[C@@H]1CC2=C(C=CC(=C2)Br)O[C@H]1C3=CC(=CC=C3)OC

InChI

InChI=1S/C24H28BrNO6/c1-5-14(2)21(23(27)30-4)26-24(28)32-20-13-16-11-17(25)9-10-19(16)31-22(20)15-7-6-8-18(12-15)29-3/h6-12,14,20-22H,5,13H2,1-4H3,(H,26,28)/t14-,20+,21+,22-/m0/s1