Chem
J-GLOBAL ID：200907064039225644   Nikkaji number：J900.941H

[Ac-D-Agl(2-naphthoyl)1]acyline

[Ac-D-Agl(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： C80H101ClN16O15
Molecular formula furigana： C80-H101-CL-N16-O15
Molecular weight： 1562.240
InChI： InChI=1S/C80H101ClN16O15/c1-45(2)37-62(71(104)89-61(18-11-12-35-85-46(3)4)78(111)97-36-14-19-68(97)77(110)86-47(5)70(82)103)90-72(105)63(38-52-22-30-59(31-23-52)87-48(6)99)91-73(106)64(39-53-24-32-60(33-25-53)88-49(7)100)93-76(109)67(44-98)94-74(107)65(41-54-15-13-34-84-43-54)92-75(108)66(40-51-20-28-58(81)29-21-51)95-79(112)80(83,96-50(8)101)69(102)57-27-26-55-16-9-10-17-56(55)42-57/h9-10,13,15-17,20-34,42-43,45-47,61-68,85,98H,11-12,14,18-19,35-41,44,83H2,1-8H3,(H2,82,103)(H,86,110)(H,87,99)(H,88,100)(H,89,104)(H,90,105)(H,91,106)(H,92,108)(H,93,109)(H,94,107)(H,95,112)(H,96,101)/t47-,61+,62+,63-,64+,65-,66-,67+,68+,80+/m1/s1
InChI key： RMLIUTABLSXOPT-AVPGMXHASA-N
SMILES： CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc(NC(=O)C)cc1)NC(=O)[C@H](Cc1ccc(NC(=O)C)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@](N)(NC(=O)C)C(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)N
Systematic name  (3)：
  • N-アセチル-2-アミノ-3-(2-ナフチル)-3-オキソ-D-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)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-アミノ-2-アセトアミド-3-(ナフタレン-2-イル)-3-オキソプロパンアミド]-3-(4-クロロフェニル)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]-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]-4-メチルペンタンアミド
  • (2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-amino-2-acetamido-3-(naphthalen-2-yl)-3-oxopropanamido]-3-(4-chlorophenyl)propanamido]-3-(pyridin-3-yl)propanamido]-3-hydroxypropanamido]-3-(4-acetamidophenyl)propanamido]-3-(4-acetamidophenyl)propanamido]-N-[(2S)-1-[(2S)-2-{[(1R)-1-carbamoylethyl]carbamoyl}pyrrolidin-1-yl]-1-oxo-6-[(propan-2-yl)amino]hexan-2-yl]-4-methylpentanamide
Other name (3)：
  • [Ac-D-Agl(2-ナフトイル)1]アシリン
  • [Ac-D-Agl(2-naphthoyl)1]acyline
  • N-Acetyl-2-amino-3-(2-naphthyl)-3-oxo-D-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
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM