Chem
J-GLOBAL ID:200907048253158436   Nikkaji number:J2.172.618D

N-(1-Phenylalanyl-3-oxo-1,2,3,6-tetrahydropyridine-5-yl)-Thr-D-Pro-Ala-Thr-Thr-Phe-OH

N-(1-フェニルアラニル-3-オキソ-1,2,3,6-テトラヒドロピリジン-5-イル)-Thr-D-Pro-Ala-Thr-Thr-Phe-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: C43H58N8O12
Molecular formula furigana: C43-H58-N8-O12
Molecular weight: 878.981
InChI: InChI=1S/C43H58N8O12/c1-23(37(56)48-35(25(3)53)40(59)49-34(24(2)52)39(58)47-32(43(62)63)19-28-14-9-6-10-15-28)45-38(57)33-16-11-17-51(33)42(61)36(26(4)54)46-29-20-30(55)22-50(21-29)41(60)31(44)18-27-12-7-5-8-13-27/h5-10,12-15,20,23-26,31-36,46,52-54H,11,16-19,21-22,44H2,1-4H3,(H,45,57)(H,47,58)(H,48,56)(H,49,59)(H,62,63)/t23-,24+,25+,26+,31-,32-,33+,34-,35-,36-/m0/s1
InChI key: QFXPSKFTSUNGJW-JKAXGJBPSA-N
SMILES: C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC1=CC(=O)CN(C1)C(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
Systematic name  (3):
  • N-(1-フェニルアラニル-3-オキソ-1,2,3,6-テトラヒドロピリジン-5-イル)-Thr-D-Pro-Ala-Thr-Thr-Phe-OH
  • (2S)-2-[(2S,3R)-2-[(2S,3R)-2-[(2S)-2-{[(2R)-1-[(2S,3R)-2-({1-[(2S)-2-アミノ-3-フェニルプロパノイル]-5-オキソ-1,2,5,6-テトラヒドロピリジン-3-イル}アミノ)-3-ヒドロキシブタノイル]ピロリジン-2-イル]ホルムアミド}プロパンアミド]-3-ヒドロキシブタンアミド]-3-ヒドロキシブタンアミド]-3-フェニルプロパン酸
  • (2S)-2-[(2S,3R)-2-[(2S,3R)-2-[(2S)-2-{[(2R)-1-[(2S,3R)-2-({1-[(2S)-2-amino-3-phenylpropanoyl]-5-oxo-1,2,5,6-tetrahydropyridin-3-yl}amino)-3-hydroxybutanoyl]pyrrolidin-2-yl]formamido}propanamido]-3-hydroxybutanamido]-3-hydroxybutanamido]-3-phenylpropanoic acid
Other name (1):
  • N-(1-Phenylalanyl-3-oxo-1,2,3,6-tetrahydropyridine-5-yl)-Thr-D-Pro-Ala-Thr-Thr-Phe-OH
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