Chem
J-GLOBAL ID：200907024311404160
Nikkaji number：J2.282.066D
Ser-Lys-Glu-Ser-Val-Pro-Glu-Phe-Pro-Leu-O-Phosphono-Ser-Pro-Pro-Lys-OH
Ser-Lys-Glu-Ser-Val-Pro-Glu-Phe-Pro-Leu-O-ホスホノ-Ser-Pro-Pro-Lys-OH
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： C71H113N16O25P
Molecular formula furigana： C71-H113-N16-O25-P
Molecular weight： 1621.746
InChI：
InChI=1S/C71H113N16O25P/c1-39(2)34-47(62(98)82-50(38-112-113(109,110)111)68(104)87-33-15-23-54(87)69(105)85-31-13-21-52(85)65(101)78-46(71(107)108)19-9-11-29-73)79-66(102)51-20-12-30-84(51)67(103)48(35-41-16-6-5-7-17-41)80-60(96)45(25-27-56(92)93)77-64(100)53-22-14-32-86(53)70(106)57(40(3)4)83-63(99)49(37-89)81-61(97)44(24-26-55(90)91)76-59(95)43(18-8-10-28-72)75-58(94)42(74)36-88/h5-7,16-17,39-40,42-54,57,88-89H,8-15,18-38,72-74H2,1-4H3,(H,75,94)(H,76,95)(H,77,100)(H,78,101)(H,79,102)(H,80,96)(H,81,97)(H,82,98)(H,83,99)(H,90,91)(H,92,93)(H,107,108)(H2,109,110,111)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,57-/m0/s1
InChI key：
KYSJXJWWWRUJLP-IGZFDDLXSA-N
SMILES：
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](COP(=O)(O)O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O
Systematic name (3)：
- Ser-Lys-Glu-Ser-Val-Pro-Glu-Phe-Pro-Leu-O-ホスホノ-Ser-Pro-Pro-Lys-OH
- (2S)-6-アミノ-2-{[(2S)-1-[(2S)-1-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-アミノ-2-[(2S)-2-アミノ-3-ヒドロキシプロパンアミド]ヘキサンアミド]-4-カルボキシブタンアミド]-3-ヒドロキシプロパンアミド]-3-メチルブタノイル]ピロリジン-2-イル]ホルムアミド}-4-カルボキシブタンアミド]-3-フェニルプロパノイル]ピロリジン-2-イル]ホルムアミド}-4-メチルペンタンアミド]-3-(ホスホノオキシ)プロパノイル]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}ヘキサン酸
- (2S)-6-amino-2-{[(2S)-1-[(2S)-1-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-hydroxypropanamido]hexanamido]-4-carboxybutanamido]-3-hydroxypropanamido]-3-methylbutanoyl]pyrrolidin-2-yl]formamido}-4-carboxybutanamido]-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanamido]-3-(phosphonooxy)propanoyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]formamido}hexanoic acid
- Ser-Lys-Glu-Ser-Val-Pro-Glu-Phe-Pro-Leu-O-Phosphono-Ser-Pro-Pro-Lys-OH
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