Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L5RD1N
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| Ligand Name |
2-[3-Methyl-4-(N-methyl-guanidino)-butyrylamino]-3-(4-phenylethynyl-phenyl)-propionic acid methyl ester
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| Synonyms |
CHEMBL419362; 2-[3-METHYL-4-(N-METHYL-GUANIDINO)-BUTYRYLAMINO]-3-(4-PHENYLETHYNYL-PHENYL)-PROPIONIC ACID METHYL ESTER; SCHEMBL14136720; 1m48; BDBM50147974; ZINC13579788; DB03453; Ro-264550; NCGC00166396-01; methyl (2S)-2-[[2-[(3R)-1-carbamimidoylpiperidin-3-yl]acetyl]amino]-3-[4-(2-phenylethynyl)phenyl]propanoate; Q27460411; Methyl N-{[(3R)-1-carbamimidoyl-3-piperidinyl]acetyl}-4-(phenylethynyl)-L-phenylalaninate; (S)-2-[2-((R)-1-Carbamimidoyl-piperidin-3-yl)-acetylamino]-3-(4-phenylethynyl-phenyl)-propionic acid methyl ester
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| Structure |
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Download2D MOL |
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| Formula |
C26H30N4O3
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| Canonical SMILES |
COC(=O)C(CC1=CC=C(C=C1)C#CC2=CC=CC=C2)NC(=O)CC3CCCN(C3)C(=N)N
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| InChI |
1S/C26H30N4O3/c1-33-25(32)23(29-24(31)17-22-8-5-15-30(18-22)26(27)28)16-21-13-11-20(12-14-21)10-9-19-6-3-2-4-7-19/h2-4,6-7,11-14,22-23H,5,8,15-18H2,1H3,(H3,27,28)(H,29,31)/t22-,23+/m1/s1
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| InChIKey |
MRNGXYMKYHNMLV-PKTZIBPZSA-N
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| PubChem Compound ID | ||||
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