Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LEGF65
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| Ligand Name |
N-{(1s,2s)-2-[bis(Carboxymethyl)amino]cyclohexyl}-N-{(2r)-2-[bis(Carboxymethyl)amino]-3-[4-({[2-Hydroxy-1,1-Bis(Hydroxymethyl)ethyl]carbamothioyl}amino)phenyl]propyl}glycine
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| Synonyms |
N-{(1s,2s)-2-[bis(Carboxymethyl)amino]cyclohexyl}-N-{(2r)-2-[bis(Carboxymethyl)amino]-3-[4-({[2-Hydroxy-1,1-Bis(Hydroxymethyl)ethyl]carbamothioyl}amino)phenyl]propyl}glycine; Q27462559
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| Structure |
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Download2D MOL
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| Formula |
C30H45N5O13S
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| Canonical SMILES |
C1CCC(C(C1)N(CC(CC2=CC=C(C=C2)NC(=S)NC(CO)(CO)CO)N(CC(=O)O)CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
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| InChI |
1S/C30H45N5O13S/c36-16-30(17-37,18-38)32-29(49)31-20-7-5-19(6-8-20)9-21(33(11-24(39)40)12-25(41)42)10-34(13-26(43)44)22-3-1-2-4-23(22)35(14-27(45)46)15-28(47)48/h5-8,21-23,36-38H,1-4,9-18H2,(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H,47,48)(H2,31,32,49)/t21-,22+,23+/m1/s1
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| InChIKey |
ZDJITWBUQUCYMP-VJBWXMMDSA-N
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| PubChem Compound ID | ||||
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