Chem
J-GLOBAL ID:200907025002205834
Nikkaji number:J346.171H
Lactoferroxin C
ラクトフェロキシンC
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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:
C43 H63 N9 O11
Molecular formula furigana:
C43-H63-N9-O11
Molecular weight:
882.029
InChI:
InChI=1S/C43H63N9O11/c1-25(2)21-32(50-41(60)33(22-26-9-13-28(53)14-10-26)49-38(57)30(45)7-4-5-19-44)39(58)47-24-37(56)52-20-6-8-35(52)42(61)48-31(17-18-36(46)55)40(59)51-34(43(62)63-3)23-27-11-15-29(54)16-12-27/h9-16,25,30-35,53-54H,4-8,17-24,44-45H2,1-3H3,(H2,46,55)(H,47,58)(H,48,61)(H,49,57)(H,50,60)(H,51,59)/t30-,31-,32-,33-,34-,35-/m0/s1
InChI key:
BZPBEAAFPPOHSJ-LBBUGJAGSA-N
SMILES:
COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCCN
Systematic name (3):
L-Lys-L-Tyr-L-Leu-Gly-L-Pro-L-Gln-L-Tyr-OMe
メチル (2S)-2-[(2S)-4-カルバモイル-2-{[(2S)-1-{2-[(2S)-2-[(2S)-2-[(2S)-2,6-ジアミノヘキサンアミド]-3-(4-ヒドロキシフェニル)プロパンアミド]-4-メチルペンタンアミド]アセチル}ピロリジン-2-イル]ホルムアミド}ブタンアミド]-3-(4-ヒドロキシフェニル)プロパノアート
methyl (2S)-2-[(2S)-4-carbamoyl-2-{[(2S)-1-{2-[(2S)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(4-hydroxyphenyl)propanamido]-4-methylpentanamido]acetyl}pyrrolidin-2-yl]formamido}butanamido]-3-(4-hydroxyphenyl)propanoate
Other name (2):
ラクトフェロキシンC
Lactoferroxin C
Application (1):
lactoferrin
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