methyl (2S)-2-azanyl-3-[2,6-bis(bromanyl)-1H-indol-3-yl]propanoate

Systemtic Name: methyl (2S)-2-azanyl-3-[2,6-bis(bromanyl)-1H-indol-3-yl]propanoate Openeye Name: methyl (2S)-2-amino-3-(2,6-dibromo-1H-indol-3-yl)propanoate CAS Name: (2S)-2-amino-3-(2,6-dibromo-1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-amino-3-(2,6-dibromo-1H-indol-3-yl)propanoate Traditional Name: (2S)-2-amino-3-(2,6-dibromo-1H-indol-3-yl)propionic acid methyl ester Formula: C12H12Br2N2O2 MolecularWeight: 376.04388

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=C(NC2=C1C=CC(=C2)Br)Br)N

Isomeric SMILES

COC(=O)[C@H](CC1=C(NC2=C1C=CC(=C2)Br)Br)N

InChI

InChI=1S/C12H12Br2N2O2/c1-18-12(17)9(15)5-8-7-3-2-6(13)4-10(7)16-11(8)14/h2-4,9,16H,5,15H2,1H3/t9-/m0/s1