Chem
J-GLOBAL ID:200907041644989460   Nikkaji number:J1.867.764D

Ac-L-Lys-Gly-Gly-L-Ala-Gly-L-Pro-L-His-L-Ala-L-Ala-L-Arg-Gly-OH

Ac-L-Lys-Gly-Gly-L-Ala-Gly-L-Pro-L-His-L-Ala-L-Ala-L-Arg-Gly-OH
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: C42H69N17O13
Molecular formula furigana: C42-H69-N17-O13
Molecular weight: 1020.120
InChI: InChI=1S/C42H69N17O13/c1-22(53-32(62)18-48-31(61)17-49-38(69)27(56-25(4)60)9-5-6-12-43)35(66)50-19-33(63)59-14-8-11-30(59)41(72)58-29(15-26-16-46-21-52-26)40(71)55-23(2)36(67)54-24(3)37(68)57-28(10-7-13-47-42(44)45)39(70)51-20-34(64)65/h16,21-24,27-30H,5-15,17-20,43H2,1-4H3,(H,46,52)(H,48,61)(H,49,69)(H,50,66)(H,51,70)(H,53,62)(H,54,67)(H,55,71)(H,56,60)(H,57,68)(H,58,72)(H,64,65)(H4,44,45,47)/t22-,23-,24-,27-,28-,29-,30-/m0/s1
InChI key: DYRAXIYUZIZETO-DPLGUDNSSA-N
SMILES: C[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)O
Systematic name  (3):
  • Ac-L-Lys-Gly-Gly-L-Ala-Gly-L-Pro-L-His-L-Ala-L-Ala-L-Arg-Gly-OH
  • 2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-{2-[(2S)-2-(2-{2-[(2S)-6-アミノ-2-アセトアミドヘキサンアミド]アセトアミド}アセトアミド)プロパンアミド]アセチル}ピロリジン-2-イル]ホルムアミド}-3-(1H-イミダゾール-4-イル)プロパンアミド]プロパンアミド]プロパンアミド]-5-カルバムイミドアミドペンタンアミド]酢酸
  • 2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-{2-[(2S)-2-(2-{2-[(2S)-6-amino-2-acetamidohexanamido]acetamido}acetamido)propanamido]acetyl}pyrrolidin-2-yl]formamido}-3-(1H-imidazol-4-yl)propanamido]propanamido]propanamido]-5-carbamimidamidopentanamido]acetic acid
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