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Chem
J-GLOBAL ID:200907013707145255   Nikkaji number:J248.045J

Antide

アンチド
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: C82H108ClN17O14
Molecular formula furigana: C82-H108-CL-N17-O14
Molecular weight: 1591.320
InChI: InChI=1S/C82H108ClN17O14/c1-50(2)41-65(76(108)95-64(26-11-12-37-88-51(3)4)82(114)100-40-18-27-70(100)81(113)91-52(5)71(84)103)96-75(107)63(25-10-14-39-90-73(105)60-23-17-36-87-48-60)93-74(106)62(24-9-13-38-89-72(104)59-22-16-35-86-47-59)94-80(112)69(49-101)99-79(111)68(45-56-19-15-34-85-46-56)98-78(110)67(43-54-29-32-61(83)33-30-54)97-77(109)66(92-53(6)102)44-55-28-31-57-20-7-8-21-58(57)42-55/h7-8,15-17,19-23,28-36,42,46-48,50-52,62-70,88,101H,9-14,18,24-27,37-41,43-45,49H2,1-6H3,(H2,84,103)(H,89,104)(H,90,105)(H,91,113)(H,92,102)(H,93,106)(H,94,112)(H,95,108)(H,96,107)(H,97,109)(H,98,110)(H,99,111)/t52-,62+,63-,64+,65+,66-,67-,68-,69+,70+/m1/s1
InChI key: QRYFGTULTGLGHU-NBERXCRTSA-N
SMILES: CC(C)C[C@H](NC(=O)[C@@H](CCCCNC(=O)c1cccnc1)NC(=O)[C@H](CCCCNC(=O)c1cccnc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)N
Systematic name  (6):
  • N-アセチル-3-(2-ナフチル)-D-Ala-4-クロロ-D-Phe-3-(3-ピリジル)-D-Ala-L-Ser-N6-ニコチノイル-L-Lys-N6-ニコチノイル-D-Lys-L-Leu-N6-イソプロピル-L-Lys-L-Pro-D-Ala-NH2
  • Ac-3-(2-ナフチル)-D-Ala-3-(4-クロロフェニル)-D-Ala-3-(3-ピリジニル)-D-Ala-L-Ser-N6-ニコチノイル-L-Lys-N6-ニコチノイル-D-Lys-L-Leu-N6-イソプロピル-L-Lys-L-Pro-D-Ala-NH2
  • N-アセチル-3-(2-ナフチル)-D-Ala-4-クロロ-D-Phe-3-(3-ピリジル)-D-Ala-L-Ser-N6-(3-ピリジルカルボニル)-L-Lys-N6-(3-ピリジルカルボニル)-D-Lys-L-Leu-N6-イソプロピル-L-Lys-L-Pro-D-Ala-NH2
  • N-Ac-3-(2-ナフチル)-D-Ala-4-クロロ-D-Phe-3-(3-ピリジニル)-D-Ala-L-Ser-N6-(3-ピリジニルカルボニル)-L-Lys-N6-(3-ピリジニルカルボニル)-D-Lys-L-Leu-N6-(1-メチルエチル)-L-Lys-L-Pro-D-Ala-NH2
  • (2S)-N-[(1R)-1-{[(1S)-1-{[(2S)-1-[(2S)-2-{[(1R)-1-カルバモイルエチル]カルバモイル}ピロリジン-1-イル]-1-オキソ-6-[(プロパン-2-イル)アミノ]ヘキサン-2-イル]カルバモイル}-3-メチルブチル]カルバモイル}-5-[(ピリジン-3-イル)ホルムアミド]ペンチル]-2-[(2S)-2-[(2R)-2-[(2R)-3-(4-クロロフェニル)-2-[(2R)-2-アセトアミド-3-(ナフタレン-2-イル)プロパンアミド]プロパンアミド]-3-(ピリジン-3-イル)プロパンアミド]-3-ヒドロキシプロパンアミド]-6-[(ピリジン-3-イル)ホルムアミド]ヘキサンアミド
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Other name (7):
  • ORF-23541
  • N-Ac-3-(2-Naphthyl)-D-Ala-4-chloro-D-Phe-3-(3-pyridinyl)-D-Ala-L-Ser-N6-(3-pyridinylcarbonyl)-L-Lys-N6-(3-pyridinylcarbonyl)-D-Lys-L-Leu-N6-(1-methylethyl)-L-Lys-L-Pro-D-Ala-NH2
  • Antide
  • アンチド
  • D-21074
Show all
CAS registry number: 112568-12-4
KEGG DRUG: D04644
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