Chem
J-GLOBAL ID：200907037356415672   Nikkaji number：J529.221B

FK-224

FK-224
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C54H72N8O13
Molecular formula furigana： C54-H72-N8-O13
Molecular weight： 1041.213
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)/t32-,33+,39-,40+,41-,42?,46-,47?/m0/s1
InChI key： BEWCDVTWUFJSSM-AFTLZOBNSA-N
SMILES： CCCCCc1ccccc1CCC(=O)NC1[C@@H](C)OC(=O)C(CO)NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)C(=Cc2ccc(O)cc2)N(C)C1=O)[C@H](C)O
Systematic name  (3)：
  • シクロ[D-Phe-L-aThr-L-Asn-L-Ser-N-[3-(2-ペンチルフェニル)プロピオニル]-L-Thr*-N-メチル-α,β-ジデヒドロ-L-Tyr-L-Leu-]
  • N-[(3S,6S,9S,12R,15S,21S,22R)-12-ベンジル-6-(カルバモイルメチル)-9-[(1S)-1-ヒドロキシエチル]-3-(ヒドロキシメチル)-18-[(4-ヒドロキシフェニル)メチリデン]-19,22-ジメチル-15-(2-メチルプロピル)-2,5,8,11,14,17,20-ヘプタオキソ-1-オキサ-4,7,10,13,16,19-ヘキサアザシクロドコサン-21-イル]-3-(2-ペンチルフェニル)プロパンアミド
  • N-[(3S,6S,9S,12R,15S,21S,22R)-12-benzyl-6-(carbamoylmethyl)-9-[(1S)-1-hydroxyethyl]-3-(hydroxymethyl)-18-[(4-hydroxyphenyl)methylidene]-19,22-dimethyl-15-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1-oxa-4,7,10,13,16,19-hexaazacyclodocosan-21-yl]-3-(2-pentylphenyl)propanamide
Other name (2)：
  • FK-224
  • Cyclo[D-Phe-L-aThr-L-Asn-L-Ser-N-[3-(2-pentylphenyl)propionyl]-L-Thr*-N-methyl-α,β-didehydro-L-Tyr-L-Leu-]
CAS registry number： 125787-94-2
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