Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LCJQ70
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| Ligand Name |
N-(4-Carbamimidoylbenzoyl)-Beta-Alanyl-L-Alpha-Aspartyl-L-Phenylalanine
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| Synonyms |
Ro 43-5054; 138107-58-1; N-(4-Carbamimidoylbenzoyl)-Beta-Alanyl-L-Alpha-Aspartyl-L-Phenylalanine; Ro 435054; N-(N-(N-(p-Amidinobenzoyl)-beta-alanyl)-L-alpha-aspartyl)-3-phenyl-L-alanine; p-Amidinobenzoyl-beta-alanyl-aspartyl-phenylalanine; CHEMBL138429; SCHEMBL7299599; DTXSID50160466; Ro-435054; (3S)-3-[3-[(4-carbamimidoylbenzoyl)amino]propanoylamino]-4-[[(1S)-1-carboxy-2-phenylethyl]amino]-4-oxobutanoic acid; Q27456123; L-Phenylalanine, N-(N-(N-(4-(aminoiminomethyl)benzoyl)-beta-alanyl)-L-alpha-aspartyl)-; (S)-3-(3-(4-carbamimidoylbenzamido)propanamido)-4-(((S)-1-carboxy-2-phenylethyl)amino)-4-oxobutanoic acid; 5YB
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| Structure |
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Download2D MOL
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| Formula |
C24H27N5O7
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| Canonical SMILES |
C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)CCNC(=O)C2=CC=C(C=C2)C(=N)N
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| InChI |
1S/C24H27N5O7/c25-21(26)15-6-8-16(9-7-15)22(33)27-11-10-19(30)28-17(13-20(31)32)23(34)29-18(24(35)36)12-14-4-2-1-3-5-14/h1-9,17-18H,10-13H2,(H3,25,26)(H,27,33)(H,28,30)(H,29,34)(H,31,32)(H,35,36)/t17-,18-/m0/s1
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| InChIKey |
XPXOBWWMCFKOKQ-ROUUACIJSA-N
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| PubChem Compound ID | ||||
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