Chem
J-GLOBAL ID：200907012273966380   Nikkaji number：J1.356.200H

Ile-Trp-His-His-Thr-OH

Ile-Trp-His-His-Thr-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： C33H44N10O7
Molecular formula furigana： C33-H44-N10-O7
Molecular weight： 692.778
InChI： InChI=1S/C33H44N10O7/c1-4-17(2)27(34)32(48)42-24(9-19-12-37-23-8-6-5-7-22(19)23)29(45)40-25(10-20-13-35-15-38-20)30(46)41-26(11-21-14-36-16-39-21)31(47)43-28(18(3)44)33(49)50/h5-8,12-18,24-28,37,44H,4,9-11,34H2,1-3H3,(H,35,38)(H,36,39)(H,40,45)(H,41,46)(H,42,48)(H,43,47)(H,49,50)/t17-,18+,24-,25-,26-,27-,28-/m0/s1
InChI key： OLSRROIYCKGQLR-DIRMYTRESA-N
SMILES： CC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H]([C@@H](C)O)C(=O)O
Systematic name  (3)：
  • Ile-Trp-His-His-Thr-OH
  • (2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-アミノ-3-メチルペンタンアミド]-3-(1H-インドール-3-イル)プロパンアミド]-3-(1H-イミダゾール-4-イル)プロパンアミド]-3-(1H-イミダゾール-4-イル)プロパンアミド]-3-ヒドロキシブタン酸
  • (2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-hydroxybutanoic acid
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