FK 224   Click here for help

GtoPdb Ligand ID: 2103

Synonyms: FK-224 | FK224
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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES CCCCCc1ccccc1CCC(=O)NC1C(C)OC(=O)C(CO)NC(=O)C(CC(=O)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(=Cc2ccc(cc2)O)N(C1=O)C)CC(C)C)Cc1ccccc1)C(O)C
Isomeric SMILES CCCCCc1ccccc1CCC(=O)NC1C(C)OC(=O)C(CO)NC(=O)C(CC(=O)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)/C(=C/c2ccc(cc2)O)/N(C1=O)C)CC(C)C)Cc1ccccc1)C(O)C
InChI InChI=1S/C54H72N8O13/c1-7-8-10-17-36-18-13-14-19-37(36)22-25-45(67)60-47-33(5)75-54(74)42(30-63)59-49(69)41(29-44(55)66)58-52(72)46(32(4)64)61-50(70)40(27-34-15-11-9-12-16-34)56-48(68)39(26-31(2)3)57-51(71)43(62(6)53(47)73)28-35-20-23-38(65)24-21-35/h9,11-16,18-21,23-24,28,31-33,39-42,46-47,63-65H,7-8,10,17,22,25-27,29-30H2,1-6H3,(H2,55,66)(H,56,68)(H,57,71)(H,58,72)(H,59,69)(H,60,67)(H,61,70)/b43-28-
InChI Key BEWCDVTWUFJSSM-MBMPTNJISA-N
Classification Click here for help
Compound class Peptide or derivative
IUPAC Name Click here for help
N-[(18Z)-6-(2-amino-2-oxoethyl)-9-(1-hydroxyethyl)-3-(hydroxymethyl)-18-[(4-hydroxyphenyl)methylidene]-19,22-dimethyl-15-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-12-(phenylmethyl)-1-oxa-4,7,10,13,16,19-hexazacyclodocos-21-yl]-3-(2-pentylphenyl)propanamide
Synonyms Click here for help
FK-224 | FK224
Database Links Click here for help
CAS Registry No. 125787-94-2 (source: Scifinder)
GtoPdb PubChem SID 135652683
PubChem CID 6437864
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