Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LA4IX5
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| Ligand Name |
[[[(4s,5s)-4-[[(3s,6s,8ar)-6-Azanyl-5-Oxo-6-(Phenylmethyl)-1,2,3,7,8,8a-Hexahydroindolizin-3-Yl]carbonylamino]-5-(1,3-Benzothiazol-2-Yl)-5-Hydroxy-Pentyl]amino]-Azanyl-Methylidene]azanium
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| Synonyms |
CHEMBL265317; SCHEMBL8219607; BDBM50076230; (3S,6S,8aR)-6-Amino-6-benzyl-5-oxo-octahydro-indolizine-3-carboxylic acid [(S)-1-(benzothiazole-2-carbonyl)-4-guanidino-butyl]-amide; (3S,6S,8aR)-6-amino-N-((S)-1-(benzo[d]thiazol-2-yl)-5-guanidino-1-oxopentan-2-yl)-6-benzyl-5-oxo-octahydroindolizine-3-carboxamide; [[[(4s,5s)-4-[[(3s,6s,8ar)-6-Azanyl-5-Oxo-6-(Phenylmethyl)-1,2,3,7,8,8a-Hexahydroindolizin-3-Yl]carbonylamino]-5-(1,3-Benzothiazol-2-Yl)-5-Hydroxy-Pentyl]amino]-Azanyl-Methylidene]azanium; 0ZE
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| Structure |
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Download2D MOL |
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| Formula |
C29H35N7O3S
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| Canonical SMILES |
C1CC(N2C1CCC(C2=O)(CC3=CC=CC=C3)N)C(=O)NC(CCCN=C(N)N)C(=O)C4=NC5=CC=CC=C5S4
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| InChI |
1S/C29H35N7O3S/c30-28(31)33-16-6-10-21(24(37)26-35-20-9-4-5-11-23(20)40-26)34-25(38)22-13-12-19-14-15-29(32,27(39)36(19)22)17-18-7-2-1-3-8-18/h1-5,7-9,11,19,21-22H,6,10,12-17,32H2,(H,34,38)(H4,30,31,33)/t19-,21+,22+,29+/m1/s1
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| InChIKey |
DBIFEKMGESFACJ-WQKYYSFTSA-N
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| PubChem Compound ID | ||||
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