diethyl (2S)-2-[[4-[(8-bromanyl-1,6-naphthyridin-2-yl)carbonylamino]phenyl]carbonylamino]pentanedioate

Systemtic Name: diethyl (2S)-2-[[4-[(8-bromanyl-1,6-naphthyridin-2-yl)carbonylamino]phenyl]carbonylamino]pentanedioate Openeye Name: diethyl (2S)-2-[[4-[(8-bromo-1,6-naphthyridine-2-carbonyl)amino]benzoyl]amino]pentanedioate CAS Name: (2S)-2-[[[4-[[(8-bromo-1,6-naphthyridin-2-yl)-oxomethyl]amino]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl (2S)-2-[[4-[(8-bromo-1,6-naphthyridine-2-carbonyl)amino]benzoyl]amino]pentanedioate Traditional Name: (2S)-2-[[4-[(8-bromo-1,6-naphthyridine-2-carbonyl)amino]benzoyl]amino]glutaric acid diethyl ester Formula: C25H25BrN4O6 MolecularWeight: 557.3932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NC(=O)C2=NC3=C(C=NC=C3C=C2)Br

Isomeric SMILES

CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)C1=CC=C(C=C1)NC(=O)C2=NC3=C(C=NC=C3C=C2)Br

InChI

InChI=1S/C25H25BrN4O6/c1-3-35-21(31)12-11-20(25(34)36-4-2)30-23(32)15-5-8-17(9-6-15)28-24(33)19-10-7-16-13-27-14-18(26)22(16)29-19/h5-10,13-14,20H,3-4,11-12H2,1-2H3,(H,28,33)(H,30,32)/t20-/m0/s1