Chem
J-GLOBAL ID:200907051563037184   Nikkaji number:J1.519.581I

1-(Boc-Ala-)-3β-Methyl-c4Hyp-Ile-Phe-OBut

1-(Boc-Ala-)-3β-メチル-c4Hyp-Ile-Phe-OBut
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: C33H52N4O8
Molecular formula furigana: C33-H52-N4-O8
Molecular weight: 632.799
InChI: InChI=1S/C33H52N4O8/c1-11-19(2)25(27(39)35-23(30(42)44-32(5,6)7)17-22-15-13-12-14-16-22)36-28(40)26-20(3)24(38)18-37(26)29(41)21(4)34-31(43)45-33(8,9)10/h12-16,19-21,23-26,38H,11,17-18H2,1-10H3,(H,34,43)(H,35,39)(H,36,40)/t19-,20-,21-,23-,24+,25-,26-/m0/s1
InChI key: JZCWELSEWHNXRM-ZDPSXAHNSA-N
SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H]1[C@@H](C)[C@H](O)CN1C(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C
Systematic name  (3):
  • 1-(Boc-Ala-)-3β-メチル-c4Hyp-Ile-Phe-OBut
  • tert-ブチル (2S)-2-[(2S,3S)-2-{[(2S,3R,4S)-1-[(2S)-2-{[(tert-ブトキシ)カルボニル]アミノ}プロパノイル]-4-ヒドロキシ-3-メチルピロリジン-2-イル]ホルムアミド}-3-メチルペンタンアミド]-3-フェニルプロパノアート
  • tert-butyl (2S)-2-[(2S,3S)-2-{[(2S,3R,4S)-1-[(2S)-2-{[(tert-butoxy)carbonyl]amino}propanoyl]-4-hydroxy-3-methylpyrrolidin-2-yl]formamido}-3-methylpentanamido]-3-phenylpropanoate
Other name (1):
  • 1-(Boc-Ala-)-3β-Methyl-c4Hyp-Ile-Phe-OBut
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