Chem
J-GLOBAL ID:200907026899290738   Nikkaji number:J900.944B

[Ac-L-Agl(Me,2-naphthoyl)1]acyline

[Ac-L-Agl(Me,2-ナフトイル)1]アシリン
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: C81H103ClN16O15
Molecular formula furigana: C81-H103-CL-N16-O15
Molecular weight: 1576.260
InChI: InChI=1S/C81H103ClN16O15/c1-46(2)38-63(72(105)90-62(19-12-13-36-86-47(3)4)79(112)98-37-15-20-69(98)78(111)87-48(5)71(83)104)91-73(106)64(39-53-23-31-60(32-24-53)88-49(6)100)92-74(107)65(40-54-25-33-61(34-26-54)89-50(7)101)94-77(110)68(45-99)95-75(108)66(42-55-16-14-35-85-44-55)93-76(109)67(41-52-21-29-59(82)30-22-52)96-80(113)81(84-9,97-51(8)102)70(103)58-28-27-56-17-10-11-18-57(56)43-58/h10-11,14,16-18,21-35,43-44,46-48,62-69,84,86,99H,12-13,15,19-20,36-42,45H2,1-9H3,(H2,83,104)(H,87,111)(H,88,100)(H,89,101)(H,90,105)(H,91,106)(H,92,107)(H,93,109)(H,94,110)(H,95,108)(H,96,113)(H,97,102)/t48-,62+,63+,64-,65+,66-,67-,68+,69+,81-/m1/s1
InChI key: FTVAIGMFIGXHGD-GZMZNBTNSA-N
SMILES: CN[C@](NC(=O)C)(C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1cccnc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(NC(=O)C)cc1)C(=O)N[C@H](Cc1ccc(NC(=O)C)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)N)C(=O)c1ccc2ccccc2c1
Systematic name  (3):
  • N-アセチル-2-(メチルアミノ)-3-(2-ナフチル)-3-オキソ-L-Ala-4-クロロ-D-Phe-3-(3-ピリジル)-D-Ala-L-Ser-4-(アセチルアミノ)-L-Phe-4-(アセチルアミノ)-D-Phe-L-Leu-N6-(1-メチルエチル)-L-Lys-L-Pro-D-Ala-NH2
  • (2S)-N-[(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]-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2R)-3-(4-クロロフェニル)-2-[(2R)-2-アセトアミド-2-(メチルアミノ)-3-(ナフタレン-2-イル)-3-オキソプロパンアミド]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]-3-(4-アセトアミドフェニル)プロパンアミド]-3-(4-アセトアミドフェニル)プロパンアミド]-4-メチルペンタンアミド
  • (2S)-N-[(2S)-1-[(2S)-2-{[(1R)-1-carbamoylethyl]carbamoyl}pyrrolidin-1-yl]-1-oxo-6-[(propan-2-yl)amino]hexan-2-yl]-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2R)-3-(4-chlorophenyl)-2-[(2R)-2-acetamido-2-(methylamino)-3-(naphthalen-2-yl)-3-oxopropanamido]propanamido]-3-(pyridin-3-yl)propanamido]-3-hydroxypropanamido]-3-(4-acetamidophenyl)propanamido]-3-(4-acetamidophenyl)propanamido]-4-methylpentanamide
Other name (3):
  • [Ac-L-Agl(Me,2-ナフトイル)1]アシリン
  • [Ac-L-Agl(Me,2-naphthoyl)1]acyline
  • N-Acetyl-2-(methylamino)-3-(2-naphthyl)-3-oxo-L-Ala-4-chloro-D-Phe-3-(3-pyridyl)-D-Ala-L-Ser-4-(acetylamino)-L-Phe-4-(acetylamino)-D-Phe-L-Leu-N6-(1-methylethyl)-L-Lys-L-Pro-D-Ala-NH2
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