Chem
J-GLOBAL ID：200907001196216797
Nikkaji number：J1.356.193A
Phe-Lys-Gly-Arg-Tyr-Tyr-Pro-OH
Phe-Lys-Gly-Arg-Tyr-Tyr-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： C46H63N11O10
Molecular formula furigana： C46-H63-N11-O10
Molecular weight： 930.077
InChI：
InChI=1S/C46H63N11O10/c47-21-5-4-10-34(54-40(61)33(48)24-28-8-2-1-3-9-28)41(62)52-27-39(60)53-35(11-6-22-51-46(49)50)42(63)55-36(25-29-13-17-31(58)18-14-29)43(64)56-37(26-30-15-19-32(59)20-16-30)44(65)57-23-7-12-38(57)45(66)67/h1-3,8-9,13-20,33-38,58-59H,4-7,10-12,21-27,47-48H2,(H,52,62)(H,53,60)(H,54,61)(H,55,63)(H,56,64)(H,66,67)(H4,49,50,51)/t33-,34-,35-,36-,37-,38-/m0/s1
InChI key：
DDHJKNJGDPLDPQ-JPRYDEJLSA-N
SMILES：
NCCCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)O
Systematic name (3)：
- Phe-Lys-Gly-Arg-Tyr-Tyr-Pro-OH
- (2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-6-アミノ-2-[(2S)-2-アミノ-3-フェニルプロパンアミド]ヘキサンアミド]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-(4-ヒドロキシフェニル)プロパンアミド]-3-(4-ヒドロキシフェニル)プロパノイル]ピロリジン-2-カルボン酸
- (2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-6-amino-2-[(2S)-2-amino-3-phenylpropanamido]hexanamido]acetamido}-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid
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