Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L0EVK6
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| Ligand Name |
2-{4-[(2S)-2-[({[(1S)-1-Carboxy-2-phenylethyl]amino}carbonyl)amino]-3-oxo-3-(pentylamino)propyl]phenoxy}malonic acid
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| Synonyms |
BSW3GP3Z2B; pnu177496; UNII-BSW3GP3Z2B; PNU-177496; 2-(4-((2S)-2-(((1-Carboxy-2-phenylethyl)carbamoyl)amino)-2-(pentylcarbamoyl)ethyl)phenoxy)propanedioic acid; 345266-97-9; Propanedioic acid, (4-((2S)-2-(((((1S)-1-carboxy-2-phenylethyl)amino)carbonyl)amino)-3-oxo-3-(pentylamino)propyl)phenoxy)-; Propanedioic acid, 2-(4-((2S)-2-(((((1S)-1-carboxy-2-phenylethyl)amino)carbonyl)amino)-3-oxo-3-(pentylamino)propyl)phenoxy)-; 2-{4-[(2S)-2-[({[(1S)-1-CARBOXY-2-PHENYLETHYL]AMINO}CARBONYL)AMINO]-3-OXO-3-(PENTYLAMINO)PROPYL]PHENOXY}MALONIC ACID; 1g7f; SCHEMBL4315645; BDBM13613; DB02436; {4-[(2S)-2-({[(1S)-1-Carboxy-2-phenylethyl]carbamoyl}amino)-3-oxo-3-(pentylamino)propyl]phenoxy}malonic acid; 2-{4-[(2S)-2-({[(1S)-1-carboxy-2-phenylethyl]carbamoyl}amino)-2-(pentylcarbamoyl)ethyl]phenoxy}propanedioic acid
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| Structure |
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Download2D MOL
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| Formula |
C27H33N3O9
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| Canonical SMILES |
CCCCCNC(=O)C(CC1=CC=C(C=C1)OC(C(=O)O)C(=O)O)NC(=O)NC(CC2=CC=CC=C2)C(=O)O
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| InChI |
1S/C27H33N3O9/c1-2-3-7-14-28-23(31)20(15-18-10-12-19(13-11-18)39-22(25(34)35)26(36)37)29-27(38)30-21(24(32)33)16-17-8-5-4-6-9-17/h4-6,8-13,20-22H,2-3,7,14-16H2,1H3,(H,28,31)(H,32,33)(H,34,35)(H,36,37)(H2,29,30,38)/t20-,21-/m0/s1
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| InChIKey |
BKONADSQADEJJP-SFTDATJTSA-N
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| PubChem Compound ID | ||||
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