Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L0DF5M
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| Ligand Name |
Methyl [(3r,7s)-7-({(2e)-3-[5-Chloro-2-(1h-Tetrazol-1-Yl)phenyl]prop-2-Enoyl}amino)-3-Ethyl-2-Oxo-1,2,3,4,5,6,7,9-Octahydro-11,8-(Azeno)-1,9-Benzodiazacyclotridecin-14-Yl]carbamate
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| Synonyms |
CHEMBL4089185; Methyl [(3r,7s)-7-({(2e)-3-[5-Chloro-2-(1h-Tetrazol-1-Yl)phenyl]prop-2-Enoyl}amino)-3-Ethyl-2-Oxo-1,2,3,4,5,6,7,9-Octahydro-11,8-(Azeno)-1,9-Benzodiazacyclotridecin-14-Yl]carbamate; BDBM50269186; 9F7
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| Structure |
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Download2D MOL |
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| Formula |
C29H30ClN9O4
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| Canonical SMILES |
CCC1CCCC(C2=NC=C(N2)C3=C(C=C(C=C3)NC(=O)OC)NC1=O)NC(=O)C=CC4=C(C=CC(=C4)Cl)N5C=NN=N5
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| InChI |
1S/C29H30ClN9O4/c1-3-17-5-4-6-22(34-26(40)12-7-18-13-19(30)8-11-25(18)39-16-32-37-38-39)27-31-15-24(35-27)21-10-9-20(33-29(42)43-2)14-23(21)36-28(17)41/h7-17,22H,3-6H2,1-2H3,(H,31,35)(H,33,42)(H,34,40)(H,36,41)/b12-7+/t17-,22+/m1/s1
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| InChIKey |
DHQBMGRBCCQVRL-NDFTWLSWSA-N
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| PubChem Compound ID | ||||
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