Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L9U3GH
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| Ligand Name |
2-(Carboxymethoxy)-5-[(2S)-2-({(2S)-2-[(3-carboxypropanoyl)amino]-3-phenylpropanoyl}amino)-3-oxo-3-(pentylamino)propyl]benzoic acid
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| Synonyms |
CHEMBL175198; 2-(CARBOXYMETHOXY)-5-[(2S)-2-({(2S)-2-[(3-CARBOXYPROPANOYL)AMINO] -3-PHENYLPROPANOYL}AMINO)-3-OXO-3-(PENTYLAMINO)PROPYL]BENZOIC ACID; 1g7g; INX; SCHEMBL4317420; BDBM13611; DB04525; N-(3-carboxypropanoyl)-L-phenylalanyl-3-carboxy-O-(carboxymethyl)-N-pentyl-L-tyrosinamide; 2-(carboxymethoxy)-5-[(2S)-2-[(2S)-2-(3-formamidopropanoic acid)-3-phenylpropanamido]-2-(pentylcarbamoyl)ethyl]benzoic acid; 5-[(S)-2-[[(S)-2-(3-Carboxypropionylamino)-3-phenylpropionyl]amino]-2-(pentylcarbamoyl)ethyl]-2-(carboxymethoxy)benzoic acid
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| Structure |
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Download2D MOL
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| Formula |
C30H37N3O10
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| Canonical SMILES |
CCCCCNC(=O)C(CC1=CC(=C(C=C1)OCC(=O)O)C(=O)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)CCC(=O)O
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| InChI |
1S/C30H37N3O10/c1-2-3-7-14-31-28(39)22(17-20-10-11-24(43-18-27(37)38)21(15-20)30(41)42)33-29(40)23(16-19-8-5-4-6-9-19)32-25(34)12-13-26(35)36/h4-6,8-11,15,22-23H,2-3,7,12-14,16-18H2,1H3,(H,31,39)(H,32,34)(H,33,40)(H,35,36)(H,37,38)(H,41,42)/t22-,23-/m0/s1
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| InChIKey |
PUAJYWYRZTYQKS-GOTSBHOMSA-N
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| PubChem Compound ID | ||||
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