Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L1EHI6
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| Ligand Name |
3-[[(2s)-2-[[[(2s)-2-[[(2s)-2-[[(2s)-2-Azanyl-3-(1h-1,2,3,4-Tetrazol-5-Ylcarbonylamino)propanoyl]amino]-3-Methyl-Butanoyl]amino]-4-Methyl-Pentanoyl]amino]methyl]-2-Hydroxy-4-Phenyl-Butanoyl]amino]benzoic Acid
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| Synonyms |
CHEMBL1229518; 3-[[(2s)-2-[[[(2s)-2-[[(2s)-2-[[(2s)-2-Azanyl-3-(1h-1,2,3,4-Tetrazol-5-Ylcarbonylamino)propanoyl]amino]-3-Methyl-Butanoyl]amino]-4-Methyl-Pentanoyl]amino]methyl]-2-Hydroxy-4-Phenyl-Butanoyl]amino]benzoic Acid; BDBM50333404; Q27449806; 3-(R)-(2-{[(S)-2-((S)-2-{(S)-2-Amino-3-[(2H-tetrazole-5-carbonyl)-amino]-propionylamino}-3-methyl-butyrylamino)-4-methyl-pentanoylamino]-methyl}-2-hydroxy-4-phenyl-butyrylamino)-benzoic acid
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| Structure |
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Download2D MOL
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| Formula |
C34H46N10O8
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| Canonical SMILES |
CC(C)CC(C(=O)NCC(CCC1=CC=CC=C1)(C(=O)NC2=CC=CC(=C2)C(=O)O)O)NC(=O)C(C(C)C)NC(=O)C(CNC(=O)C3=NNN=N3)N
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| InChI |
1S/C34H46N10O8/c1-19(2)15-25(39-30(47)26(20(3)4)40-28(45)24(35)17-36-31(48)27-41-43-44-42-27)29(46)37-18-34(52,14-13-21-9-6-5-7-10-21)33(51)38-23-12-8-11-22(16-23)32(49)50/h5-12,16,19-20,24-26,52H,13-15,17-18,35H2,1-4H3,(H,36,48)(H,37,46)(H,38,51)(H,39,47)(H,40,45)(H,49,50)(H,41,42,43,44)/t24-,25-,26-,34+/m0/s1
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| InChIKey |
FZZOBXKGDCMGAL-NAJARDBOSA-N
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| PubChem Compound ID | ||||
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