Chem
J-GLOBAL ID：200907020125355243   Nikkaji number：J2.188.253D

Val-Gln-His-Ile-Gln-Leu-Leu-Gln-Lys-OH

Val-Gln-His-Ile-Gln-Leu-Leu-Gln-Lys-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： C50H87N15O13
Molecular formula furigana： C50-H87-N15-O13
Molecular weight： 1106.338
InChI： InChI=1S/C50H87N15O13/c1-9-28(8)41(65-47(74)36(22-29-23-56-24-57-29)64-43(70)31(14-17-38(53)67)59-48(75)40(55)27(6)7)49(76)60-32(15-18-39(54)68)44(71)62-35(21-26(4)5)46(73)63-34(20-25(2)3)45(72)58-30(13-16-37(52)66)42(69)61-33(50(77)78)12-10-11-19-51/h23-28,30-36,40-41H,9-22,51,55H2,1-8H3,(H2,52,66)(H2,53,67)(H2,54,68)(H,56,57)(H,58,72)(H,59,75)(H,60,76)(H,61,69)(H,62,71)(H,63,73)(H,64,70)(H,65,74)(H,77,78)/t28-,30-,31-,32-,33-,34-,35-,36-,40-,41-/m0/s1
InChI key： KYPAJONPNLRMFN-OTRRVRRPSA-N
SMILES： CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)O
Systematic name  (3)：
  • Val-Gln-His-Ile-Gln-Leu-Leu-Gln-Lys-OH
  • (2S)-6-アミノ-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-アミノ-3-メチルブタンアミド]-4-カルバモイルブタンアミド]-3-(1H-イミダゾール-4-イル)プロパンアミド]-3-メチルペンタンアミド]-4-カルバモイルブタンアミド]-4-メチルペンタンアミド]-4-メチルペンタンアミド]-4-カルバモイルブタンアミド]ヘキサン酸
  • (2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanamido]-3-methylpentanamido]-4-carbamoylbutanamido]-4-methylpentanamido]-4-methylpentanamido]-4-carbamoylbutanamido]hexanoic acid
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