CDO
2-((R)-1-((S)-2-(N-(6-CARBAMIMIDOYLPYRIDIN-3-YL)METHYLCARBAMOYL)-2H-PYRROL-1(5H)-YL)-3-CYCLOHEXYL-1-OXOPROPAN-2-YLAMINO)ACETIC ACID
Find entries where: CDO
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
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Name | 2-((R)-1-((S)-2-(N-(6-CARBAMIMIDOYLPYRIDIN-3-YL)METHYLCARBAMOYL)-2H-PYRROL-1(5H)-YL)-3-CYCLOHEXYL-1-OXOPROPAN-2-YLAMINO)ACETIC ACID |
Identifiers | 2-[[(2R)-1-[(2S)-2-[(6-carbamimidoylpyridin-3-yl)methylcarbamoyl]-2,5-dihydropyrrol-1-yl]-3-cyclohexyl-1-oxo-propan-2-yl]amino]ethanoic acid |
Formula | C23 H32 N6 O4 |
Molecular Weight | 456.538 |
Type | NON-POLYMER |
Isomeric SMILES | [H]/N=C(/c1ccc(cn1)CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC3CCCCC3)NCC(=O)O)\N |
InChI | InChI=1S/C23H32N6O4/c24-21(25)17-9-8-16(12-26-17)13-28-22(32)19-7-4-10-29(19)23(33)18(27-14-20(30)31)11-15-5-2-1-3-6-15/h4,7-9,12,15,18-19,27H,1-3,5-6,10-11,13-14H2,(H3,24,25)(H,28,32)(H,30,31)/t18-,19+/m1/s1 |
InChIKey | DSEQCUGXKCOSSU-MOPGFXCFSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 65 |
Chiral Atom Count | 2 |
Bond Count | 67 |
Aromatic Bond Count | 6 |
Related Resource References
Resource Name | Reference |
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Pharos | CHEMBL377681 |
PubChem | 9893177 |
ChEMBL | CHEMBL377681 |