Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LJ73KP
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| Ligand Name |
2-{4-[2-(S)-Allyloxycarbonylamino-3-{4-[(2-carboxy-phenyl)-oxalyl-amino]-phenyl}-propionylamino]-butoxy}-6-hydroxy-benzoic acid methyl ester
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| Synonyms |
CHEMBL325029; 2-{4-[2-(S)-ALLYLOXYCARBONYLAMINO-3-{4-[(2-CARBOXY-PHENYL)-OXALYL-AMINO]-PHENYL}-PROPIONYLAMINO]-BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER; OIC ACID METHYL ESTER; SCHEMBL6500588; BDBM50131545; DB04088; Q27454316; (S)-2-(N-(4-(2-(allyloxycarbonylamino)-3-(4-(3-hydroxy-2-(methoxycarbonyl)phenoxy)butylamino)-3-oxopropyl)phenyl)-1-carboxyformamido)benzoic acid; 2-[{4-[(2S)-2-{[(Allyloxy)carbonyl]amino}-3-({4-[3-hydroxy-2-(methoxycarbonyl)phenoxy]butyl}amino)-3-oxopropyl]phenyl}(carboxycarbonyl)amino]benzoic acid; 2-[4-(2-Allyloxycarbonylamino-3-{4-[(2-carboxy-phenyl)-oxalyl-amino]-phenyl}-propionylamino)-butoxy]-6-hydroxy-benzoic acid methyl ester; methyl 2-[4-({N-[(allyloxy)carbonyl]-4-[(carboxycarbonyl)(2-carboxyphenyl)amino]-L-phenylalanyl}amino)butoxy]-6-hydroxybenzoate
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| Structure |
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Download2D MOL
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| Formula |
C34H35N3O12
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| Canonical SMILES |
COC(=O)C1=C(C=CC=C1OCCCCNC(=O)C(CC2=CC=C(C=C2)N(C3=CC=CC=C3C(=O)O)C(=O)C(=O)O)NC(=O)OCC=C)O
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| InChI |
1S/C34H35N3O12/c1-3-18-49-34(46)36-24(29(39)35-17-6-7-19-48-27-12-8-11-26(38)28(27)33(45)47-2)20-21-13-15-22(16-14-21)37(30(40)32(43)44)25-10-5-4-9-23(25)31(41)42/h3-5,8-16,24,38H,1,6-7,17-20H2,2H3,(H,35,39)(H,36,46)(H,41,42)(H,43,44)/t24-/m0/s1
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| InChIKey |
JTJBRKLISQICDU-DEOSSOPVSA-N
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| PubChem Compound ID | ||||
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