Chem
J-GLOBAL ID:200907048812200456   Nikkaji number:J1.503.902G

Cyclo[Arg-Gly-Asp-D-Phe-N6-[1-oxo-16-(dioctadecylcarbamoyl)-3,6,9,12,15-pentaoxahexadecane-1-yl]-Lys-]

シクロ[Arg-Gly-Asp-D-Phe-N6-[1-オキソ-16-(ジオクタデシルカルバモイル)-3,6,9,12,15-ペンタオキサヘキサデカン-1-イル]-Lys-]
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: C75H134N10O14
Molecular formula furigana: C75-H134-N10-O14
Molecular weight: 1399.953
InChI: InChI=1S/C75H134N10O14/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-38-47-85(48-39-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)69(88)61-99-56-54-97-52-50-95-49-51-96-53-55-98-60-68(87)78-45-37-36-43-64-72(92)82-63(44-40-46-79-75(76)77)71(91)80-59-67(86)81-66(58-70(89)90)74(94)84-65(73(93)83-64)57-62-41-34-33-35-42-62/h33-35,41-42,63-66H,3-32,36-40,43-61H2,1-2H3,(H,78,87)(H,80,91)(H,81,86)(H,82,92)(H,83,93)(H,84,94)(H,89,90)(H4,76,77,79)/t63-,64-,65+,66-/m0/s1
InChI key: ICLRTUINWVYMTO-BTUZLQPVSA-N
SMILES: CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)COCCOCCOCCOCCOCC(=O)NCCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC1=O
Systematic name  (4):
  • シクロ[Arg-Gly-Asp-D-Phe-N6-[1-オキソ-16-(ジオクタデシルカルバモイル)-3,6,9,12,15-ペンタオキサヘキサデカン-1-イル]-Lys-]
  • シクロ[L-Arg-Gly-L-Asp-D-Phe-N6-[17-(ジオクタデシルアミノ)-1,17-ジオキソ-3,6,9,12,15-ペンタオキサヘプタデカン-1-イル]-L-Lys-]
  • 2-[(2S,5R,8S,11S)-5-ベンジル-11-(3-カルバムイミドアミドプロピル)-8-{4-[1-(ジオクタデシルカルバモイル)-2,5,8,11,14-ペンタオキサヘキサデカン-16-アミド]ブチル}-3,6,9,12,15-ペンタオキソ-1,4,7,10,13-ペンタアザシクロペンタデカン-2-イル]酢酸
  • 2-[(2S,5R,8S,11S)-5-benzyl-11-(3-carbamimidamidopropyl)-8-{4-[1-(dioctadecylcarbamoyl)-2,5,8,11,14-pentaoxahexadecan-16-amido]butyl}-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentaazacyclopentadecan-2-yl]acetic acid
Other name (2):
  • Cyclo[Arg-Gly-Asp-D-Phe-N6-[1-oxo-16-(dioctadecylcarbamoyl)-3,6,9,12,15-pentaoxahexadecane-1-yl]-Lys-]
  • Cyclo[L-Arg-Gly-L-Asp-D-Phe-N6-[17-(dioctadecylamino)-1,17-dioxo-3,6,9,12,15-pentaoxaheptadecane-1-yl]-L-Lys-]
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