Chem
J-GLOBAL ID：200907054428912740
Nikkaji number：J2.188.247J
Gln-Ile-Asn-Asp-Tyr-Val-Glu-Lys-OH
Gln-Ile-Asn-Asp-Tyr-Val-Glu-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： C44H69N11O16
Molecular formula furigana： C44-H69-N11-O16
Molecular weight： 1008.097
InChI：
InChI=1S/C44H69N11O16/c1-5-22(4)36(55-37(63)25(46)13-15-31(47)57)43(69)53-29(19-32(48)58)39(65)52-30(20-34(61)62)40(66)51-28(18-23-9-11-24(56)12-10-23)41(67)54-35(21(2)3)42(68)49-26(14-16-33(59)60)38(64)50-27(44(70)71)8-6-7-17-45/h9-12,21-22,25-30,35-36,56H,5-8,13-20,45-46H2,1-4H3,(H2,47,57)(H2,48,58)(H,49,68)(H,50,64)(H,51,66)(H,52,65)(H,53,69)(H,54,67)(H,55,63)(H,59,60)(H,61,62)(H,70,71)/t22-,25-,26-,27-,28-,29-,30-,35-,36-/m0/s1
InChI key：
HTTVSXUSCSMNRJ-FJLKHZLQSA-N
SMILES：
CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O
Systematic name (3)：
- Gln-Ile-Asn-Asp-Tyr-Val-Glu-Lys-OH
- (2S)-6-アミノ-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-アミノ-4-カルバモイルブタンアミド]-3-メチルペンタンアミド]-3-カルバモイルプロパンアミド]-3-カルボキシプロパンアミド]-3-(4-ヒドロキシフェニル)プロパンアミド]-3-メチルブタンアミド]-4-カルボキシブタンアミド]ヘキサン酸
- (2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-methylpentanamido]-3-carbamoylpropanamido]-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylbutanamido]-4-carboxybutanamido]hexanoic acid
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