4-oxidanylidene-4-[[3-[2-oxidanyl-2-oxidanylidene-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethyl]-1H-indol-5-yl]amino]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[[3-[2-oxidanyl-2-oxidanylidene-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethyl]-1H-indol-5-yl]amino]butanoic acid Openeye Name: 4-[[3-[2-hydroxy-2-oxo-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethyl]-1H-indol-5-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[3-[2-hydroxy-2-oxo-1-[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]ethyl]-1H-indol-5-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[3-[2-hydroxy-2-oxo-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethyl]-1H-indol-5-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[3-[2-hydroxy-2-keto-1-[4-(2-pyrimidyl)-1,4-diazepan-1-yl]ethyl]-1H-indol-5-yl]amino]-4-keto-butyric acid Formula: C23H26N6O5 MolecularWeight: 466.48974

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(C2=CNC3=C2C=C(C=C3)NC(=O)CCC(=O)O)C(=O)O)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN(C1)C(C2=CNC3=C2C=C(C=C3)NC(=O)CCC(=O)O)C(=O)O)C4=NC=CC=N4

InChI

InChI=1S/C23H26N6O5/c30-19(5-6-20(31)32)27-15-3-4-18-16(13-15)17(14-26-18)21(22(33)34)28-9-2-10-29(12-11-28)23-24-7-1-8-25-23/h1,3-4,7-8,13-14,21,26H,2,5-6,9-12H2,(H,27,30)(H,31,32)(H,33,34)