Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L5MRN8
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| Ligand Name |
N-(Carboxymethyl)-3-cyclohexyl-D-alanyl-N-({5-[(E)-amino(imino)methyl]thien-2-YL}methyl)-L-prolinamide
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| Synonyms |
CHEMBL377303; N-(CARBOXYMETHYL)-3-CYCLOHEXYL-D-ALANYL-N-({5-[(E)-AMINO(IMINO)METHYL]THIEN-2-YL}METHYL)-L-PROLINAMIDE; 2fes; 3SP; BDBM50182198; Q27454103; ((R)-2-{(S)-2-[(5-carbamimidoyl-thiophen-2-ylmethyl)-carbamoyl]-pyrrolidin-1-yl}-1-cyclohexylmethyl-2-oxo-ethylamino)-acetic acid
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| Structure |
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Download2D MOL |
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| Formula |
C22H33N5O4S
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| Canonical SMILES |
C1CCC(CC1)CC(C(=O)N2CCCC2C(=O)NCC3=CC=C(S3)C(=N)N)NCC(=O)O
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| InChI |
1S/C22H33N5O4S/c23-20(24)18-9-8-15(32-18)12-26-21(30)17-7-4-10-27(17)22(31)16(25-13-19(28)29)11-14-5-2-1-3-6-14/h8-9,14,16-17,25H,1-7,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t16-,17+/m1/s1
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| InChIKey |
WWADFOUMUCMPEO-SJORKVTESA-N
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| PubChem Compound ID | ||||
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