Chem
J-GLOBAL ID：200907025773395082
Nikkaji number：J1.356.190G
Phe-Phe-Gly-Arg-Cys-Val-Ser-Pro-OH
Phe-Phe-Gly-Arg-Cys-Val-Ser-Pro-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： C42H61N11O10S
Molecular formula furigana： C42-H61-N11-O10-S
Molecular weight： 912.080
InChI：
InChI=1S/C42H61N11O10S/c1-24(2)34(39(60)50-30(22-54)40(61)53-18-10-16-32(53)41(62)63)52-38(59)31(23-64)51-37(58)28(15-9-17-46-42(44)45)48-33(55)21-47-36(57)29(20-26-13-7-4-8-14-26)49-35(56)27(43)19-25-11-5-3-6-12-25/h3-8,11-14,24,27-32,34,54,64H,9-10,15-23,43H2,1-2H3,(H,47,57)(H,48,55)(H,49,56)(H,50,60)(H,51,58)(H,52,59)(H,62,63)(H4,44,45,46)/t27-,28-,29-,30-,31-,32-,34-/m0/s1
InChI key：
HAIFQKUNTWAKLZ-SLJYAKFTSA-N
SMILES：
CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)O
Systematic name (3)：
- Phe-Phe-Gly-Arg-Cys-Val-Ser-Pro-OH
- (2S)-1-[(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-アミノ-3-フェニルプロパンアミド]-3-フェニルプロパンアミド]アセトアミド}-5-カルバムイミドアミドペンタンアミド]-3-スルファニルプロパンアミド]-3-メチルブタンアミド]-3-ヒドロキシプロパノイル]ピロリジン-2-カルボン酸
- (2S)-1-[(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-phenylpropanamido]acetamido}-5-carbamimidamidopentanamido]-3-sulfanylpropanamido]-3-methylbutanamido]-3-hydroxypropanoyl]pyrrolidine-2-carboxylic acid
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