Chem
J-GLOBAL ID:200907093232136730
Nikkaji number:J711.761B
Apstatin
アプスタチン
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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:
C23 H33 N5 O5
Molecular formula furigana:
C23-H33-N5-O5
Molecular weight:
459.547
InChI:
InChI=1S/C23H33N5O5/c1-14(20(25)30)26-21(31)17-9-5-11-27(17)22(32)18-10-6-12-28(18)23(33)19(29)16(24)13-15-7-3-2-4-8-15/h2-4,7-8,14,16-19,29H,5-6,9-13,24H2,1H3,(H2,25,30)(H,26,31)/t14-,16+,17-,18-,19-/m0/s1
InChI key:
YVUUZAPYLPWFHE-HXFGRODQSA-N
SMILES:
C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)N
Systematic name (3):
1-[(2S,3R)-3-アミノ-2-ヒドロキシ-4-フェニルブチリル]-L-Pro-L-Pro-L-Ala-NH2
(2S)-2-{[(2S)-1-[(2S)-1-[(2S,3R)-3-アミノ-2-ヒドロキシ-4-フェニルブタノイル]ピロリジン-2-カルボニル]ピロリジン-2-イル]ホルムアミド}プロパンアミド
(2S)-2-{[(2S)-1-[(2S)-1-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]formamido}propanamide
Other name (3):
アプスタチン
Apstatin
1-[(2S,3R)-3-Amino-2-hydroxy-4-phenylbutyryl]-L-Pro-L-Pro-L-Ala-NH2
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