methyl (2S)-3-[3-(7-bromanyl-3-oxidanyl-2-oxidanylidene-1H-indol-3-yl)-4-oxidanyl-phenyl]-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: methyl (2S)-3-[3-(7-bromanyl-3-oxidanyl-2-oxidanylidene-1H-indol-3-yl)-4-oxidanyl-phenyl]-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl (2S)-2-(benzyloxycarbonylamino)-3-[3-(7-bromo-3-hydroxy-2-oxo-indolin-3-yl)-4-hydroxy-phenyl]propanoate CAS Name: (2S)-3-[3-(7-bromo-3-hydroxy-2-oxo-1H-indol-3-yl)-4-hydroxyphenyl]-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl (2S)-3-[3-(7-bromo-3-hydroxy-2-oxo-1H-indol-3-yl)-4-hydroxyphenyl]-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-[3-(7-bromo-3-hydroxy-2-keto-indolin-3-yl)-4-hydroxy-phenyl]propionic acid methyl ester Formula: C26H23BrN2O7 MolecularWeight: 555.37402

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC(=C(C=C1)O)C2(C3=C(C(=CC=C3)Br)NC2=O)O)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@H](CC1=CC(=C(C=C1)O)C2(C3=C(C(=CC=C3)Br)NC2=O)O)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H23BrN2O7/c1-35-23(31)20(28-25(33)36-14-15-6-3-2-4-7-15)13-16-10-11-21(30)18(12-16)26(34)17-8-5-9-19(27)22(17)29-24(26)32/h2-12,20,30,34H,13-14H2,1H3,(H,28,33)(H,29,32)/t20-,26?/m0/s1