Chem
J-GLOBAL ID:200907048750874269   Nikkaji number:J1.117.545G

N-(1,12-Dioxo-12-tert-butoxy-dodecyl)-L-βαAsp-(OBzl)-N4-hexadecyl-L-Asn-hexadecyl NH2

N-(1,12-ジオキソ-12-tert-ブトキシ-ドデシル)-L-βαAsp-(OBzl)-N4-ヘキサデシル-L-Asn-ヘキサデシルNH2
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: C63H112N4O8
Molecular formula furigana: C63-H112-N4-O8
Molecular weight: 1053.609
InChI: InChI=1S/C63H112N4O8/c1-6-8-10-12-14-16-18-20-22-24-28-32-36-43-49-64-58(69)51-55(61(72)65-50-44-37-33-29-25-23-21-19-17-15-13-11-9-7-2)66-59(70)52-56(62(73)74-53-54-45-39-38-40-46-54)67-57(68)47-41-34-30-26-27-31-35-42-48-60(71)75-63(3,4)5/h38-40,45-46,55-56H,6-37,41-44,47-53H2,1-5H3,(H,64,69)(H,65,72)(H,66,70)(H,67,68)/t55-,56-/m0/s1
InChI key: VXNKUJNMBKUDEG-ATMVKLMESA-N
SMILES: CCCCCCCCCCCCCCCCNC(=O)C[C@H](NC(=O)C[C@H](NC(=O)CCCCCCCCCCC(=O)OC(C)(C)C)C(=O)OCc1ccccc1)C(=O)NCCCCCCCCCCCCCCCC
Systematic name  (3):
  • N-(1,12-ジオキソ-12-tert-ブトキシ-ドデシル)-L-βαAsp-(OBzl)-N4-ヘキサデシル-L-Asn-ヘキサデシルNH2
  • tert-ブチル 11-{[(2S)-1-(ベンジルオキシ)-3-{[(1S)-1,2-ビス(ヘキサデシルカルバモイル)エチル]カルバモイル}-1-オキソプロパン-2-イル]カルバモイル}ウンデカノアート
  • tert-butyl 11-{[(2S)-1-(benzyloxy)-3-{[(1S)-1,2-bis(hexadecylcarbamoyl)ethyl]carbamoyl}-1-oxopropan-2-yl]carbamoyl}undecanoate
Other name (1):
  • N-(1,12-Dioxo-12-tert-butoxy-dodecyl)-L-βαAsp-(OBzl)-N4-hexadecyl-L-Asn-hexadecyl NH2
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