Chem
J-GLOBAL ID：200907002315939260   Nikkaji number：J847.794I

L-Lys-L-Tyr-L-Gln-L-Ala-L-Val-L-Thr-L-Thr-L-Thr-L-Leu-OH

L-Lys-L-Tyr-L-Gln-L-Ala-L-Val-L-Thr-L-Thr-L-Thr-L-Leu-OH
Substance type：
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
Molecular formula： C46H77N11O15
Molecular formula furigana： C46-H77-N11-O15
Molecular weight： 1024.184
InChI： InChI=1S/C46H77N11O15/c1-21(2)19-32(46(71)72)53-43(68)35(24(6)58)56-45(70)37(26(8)60)57-44(69)36(25(7)59)55-42(67)34(22(3)4)54-38(63)23(5)50-40(65)30(16-17-33(49)62)51-41(66)31(20-27-12-14-28(61)15-13-27)52-39(64)29(48)11-9-10-18-47/h12-15,21-26,29-32,34-37,58-61H,9-11,16-20,47-48H2,1-8H3,(H2,49,62)(H,50,65)(H,51,66)(H,52,64)(H,53,68)(H,54,63)(H,55,67)(H,56,70)(H,57,69)(H,71,72)/t23-,24+,25+,26+,29-,30-,31-,32-,34-,35-,36-,37-/m0/s1
InChI key： GPKDVMKAAMTGMV-INNSTDKMSA-N
SMILES： CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCCN)C(C)C)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)O
Systematic name  (3)：
  • L-Lys-L-Tyr-L-Gln-L-Ala-L-Val-L-Thr-L-Thr-L-Thr-L-Leu-OH
  • (2S)-2-[(2S,3R)-2-[(2S,3R)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-4-カルバモイル-2-[(2S)-2-[(2S)-2,6-ジアミノヘキサンアミド]-3-(4-ヒドロキシフェニル)プロパンアミド]ブタンアミド]プロパンアミド]-3-メチルブタンアミド]-3-ヒドロキシブタンアミド]-3-ヒドロキシブタンアミド]-3-ヒドロキシブタンアミド]-4-メチルペンタン酸
  • (2S)-2-[(2S,3R)-2-[(2S,3R)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-4-carbamoyl-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(4-hydroxyphenyl)propanamido]butanamido]propanamido]-3-methylbutanamido]-3-hydroxybutanamido]-3-hydroxybutanamido]-3-hydroxybutanamido]-4-methylpentanoic acid
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