Chem
J-GLOBAL ID：200907098547411617
Nikkaji number：J2.035.227B
O-(N-Acetyl-Tyr-Gly-Gly-Phe-Leu-)-N-acetyl-Tyr-Gly-Gly-Phe-Leu-Arg-OMe
O-(N-アセチル-Tyr-Gly-Gly-Phe-Leu-)-N-アセチル-Tyr-Gly-Gly-Phe-Leu-Arg-OMe
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
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
Molecular formula： C67H90N14O16
Molecular formula furigana： C67-H90-N14-O16
Molecular weight： 1347.539
InChI：
InChI=1S/C67H90N14O16/c1-39(2)29-50(62(91)79-49(65(94)96-7)19-14-28-70-67(68)69)80-63(92)53(31-43-15-10-8-11-16-43)77-58(87)37-71-57(86)36-74-61(90)52(76-42(6)83)34-46-22-26-48(27-23-46)97-66(95)55(30-40(3)4)81-64(93)54(32-44-17-12-9-13-18-44)78-59(88)38-72-56(85)35-73-60(89)51(75-41(5)82)33-45-20-24-47(84)25-21-45/h8-13,15-18,20-27,39-40,49-55,84H,14,19,28-38H2,1-7H3,(H,71,86)(H,72,85)(H,73,89)(H,74,90)(H,75,82)(H,76,83)(H,77,87)(H,78,88)(H,79,91)(H,80,92)(H,81,93)(H4,68,69,70)/t49-,50-,51-,52-,53-,54-,55-/m0/s1
InChI key：
XGZPMBZCRWGARV-DKKXDTQASA-N
SMILES：
COC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(OC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C)cc1)NC(=O)C
Systematic name (3)：
- O-(N-アセチル-Tyr-Gly-Gly-Phe-Leu-)-N-アセチル-Tyr-Gly-Gly-Phe-Leu-Arg-OMe
- メチル (2S)-5-カルバムイミドアミド-2-[(2S)-2-[(2S)-2-(2-{2-[(2S)-2-アセトアミド-3-(4-{[(2S)-2-[(2S)-2-(2-{2-[(2S)-2-アセトアミド-3-(4-ヒドロキシフェニル)プロパンアミド]アセトアミド}アセトアミド)-3-フェニルプロパンアミド]-4-メチルペンタノイル]オキシ}フェニル)プロパンアミド]アセトアミド}アセトアミド)-3-フェニルプロパンアミド]-4-メチルペンタンアミド]ペンタノアート
- methyl (2S)-5-carbamimidamido-2-[(2S)-2-[(2S)-2-(2-{2-[(2S)-2-acetamido-3-(4-{[(2S)-2-[(2S)-2-(2-{2-[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanamido]acetamido}acetamido)-3-phenylpropanamido]-4-methylpentanoyl]oxy}phenyl)propanamido]acetamido}acetamido)-3-phenylpropanamido]-4-methylpentanamido]pentanoate
- O-(N-Acetyl-Tyr-Gly-Gly-Phe-Leu-)-N-acetyl-Tyr-Gly-Gly-Phe-Leu-Arg-OMe
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