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| Ligand ID | MIT |
| InChI | InChI=1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/p+1/t14-,15-,17+,18-/m1/s1 |
| InChIKey | KXNPVXPOPUZYGB-XYVMCAHJSA-O |
| SMILES | | Software | SMILES |
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| CACTVS 3.370 | C[C@@H]1CCN([C@H](C1)C(O)=O)C(=O)[C@H](CCCNC(N)=[NH2+])N[S](=O)(=O)c2cccc3C[C@@H](C)CNc23 | | OpenEye OEToolkits 1.7.6 | CC1CCN(C(C1)C(=O)O)C(=O)C(CCCNC(=[NH2+])N)NS(=O)(=O)c2cccc3c2NCC(C3)C | | ACDLabs 12.01 | O=C(N1C(C(=O)O)CC(C)CC1)C(NS(=O)(=O)c3cccc2c3NCC(C)C2)CCCNC(=[NH2+])\N | | OpenEye OEToolkits 1.7.6 | C[C@@H]1CCN([C@H](C1)C(=O)O)C(=O)[C@H](CCCNC(=[NH2+])N)NS(=O)(=O)c2cccc3c2NC[C@@H](C3)C | | CACTVS 3.370 | C[CH]1CCN([CH](C1)C(O)=O)C(=O)[CH](CCCNC(N)=[NH2+])N[S](=O)(=O)c2cccc3C[CH](C)CNc23 |
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| Formula | C23 H37 N6 O5 S |
| Name | amino{[(4S)-5-[(2R,4R)-2-carboxy-4-methylpiperidin-1-yl]-4-({[(3R)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonyl}amino)-5-oxopentyl]amino}methaniminium;
R-argatroban;
MQPA;
MD-805;
MITSUBISHI INHIBITOR |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 1dwc Chain H Residue 1
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
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