Ligand Information
Ligand General Information | Top | |||
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Ligand ID |
L28HEP
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Ligand Name |
3-{2-Ethyl-6-[4-(quinoxalin-2-ylamino)-benzoylamino]-hexanoylamino}-4-oxo-butyric acid
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Synonyms |
3-{2-ETHYL-6-[4-(QUINOXALIN-2-YLAMINO)-BENZOYLAMINO]-HEXANOYLAMINO}-4-OXO-BUTYRIC ACID; Q27454888
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Structure |
Download2D MOL
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Formula |
C27H31N5O5
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Canonical SMILES |
CCC(CCCCNC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2)C(=O)NC(CC(=O)O)C=O
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InChI |
1S/C27H31N5O5/c1-2-18(27(37)31-21(17-33)15-25(34)35)7-5-6-14-28-26(36)19-10-12-20(13-11-19)30-24-16-29-22-8-3-4-9-23(22)32-24/h3-4,8-13,16-18,21H,2,5-7,14-15H2,1H3,(H,28,36)(H,30,32)(H,31,37)(H,34,35)/t18-,21+/m1/s1
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InChIKey |
LFXGHNVCJJFHJJ-NQIIRXRSSA-N
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PubChem Compound ID |
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