Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LI8H6Z
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| Ligand Name |
{3(S)-Methylcarbamoyl-2-[3-(3-sulfoamino-phenyl)-propionyl]-1,2,3,4-tetrahydro-isoquinolin-7-YL}-sulfamic acid
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| Synonyms |
{3(S)-METHYLCARBAMOYL-2-[3-(3-SULFOAMINO-PHENYL)-PROPIONYL]-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-7-YL}-SULFAMIC ACID; 875662-69-4; Sulfamic acid,N-[3-[3-[(3S)-3,4-dihydro-3-[(methylamino)carbonyl]-7-(sulfoamino)-2(1H)-isoquinolinyl]-3-oxopropyl]phenyl]-; 2f6z; UN5; CHEMBL204337; SCHEMBL6393262; BDBM13461; Sulfamic acid, N-[3-[3-[(3S)-3,4-dihydro-3-[(methylamino)carbonyl]-7-(sulfoamino)-2(1H)-isoquinolinyl]-3-oxopropyl]phenyl]-; ZINC14952759; Tetrahydroisoquinoline (TIQ) deriv. 10i; Q27466911; N-[(3S)-3-(methylcarbamoyl)-2-{3-[3-(sulfoamino)phenyl]propanoyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]sulfamic acid
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| Structure |
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Download2D MOL |
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| Formula |
C20H24N4O8S2
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| Canonical SMILES |
CNC(=O)C1CC2=C(CN1C(=O)CCC3=CC(=CC=C3)NS(=O)(=O)O)C=C(C=C2)NS(=O)(=O)O
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| InChI |
1S/C20H24N4O8S2/c1-21-20(26)18-11-14-6-7-17(23-34(30,31)32)10-15(14)12-24(18)19(25)8-5-13-3-2-4-16(9-13)22-33(27,28)29/h2-4,6-7,9-10,18,22-23H,5,8,11-12H2,1H3,(H,21,26)(H,27,28,29)(H,30,31,32)/t18-/m0/s1
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| InChIKey |
VXWOHWHCMDFHJS-SFHVURJKSA-N
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| PubChem Compound ID | ||||
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