Chem
J-GLOBAL ID：201007007213103399   Nikkaji number：J2.799.534I

L-Ile-L-Asn-L-Leu-L-Lys-L-Ala-L-Leu-L-Ala-L-Ala-L-Leu-L-Ala-L-Lys-L-Ala-L-Leu-L-Leu-OH

L-Ile-L-Asn-L-Leu-L-Lys-L-Ala-L-Leu-L-Ala-L-Ala-L-Leu-L-Ala-L-Lys-L-Ala-L-Leu-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： C67H123N17O16
Molecular formula furigana： C67-H123-N17-O16
Molecular weight： 1422.824
InChI： InChI=1S/C67H123N17O16/c1-18-38(12)53(71)66(98)83-50(32-52(70)85)65(97)82-49(30-36(8)9)63(95)78-45(24-20-22-26-69)60(92)74-42(16)57(89)80-46(27-33(2)3)61(93)75-39(13)54(86)72-40(14)56(88)79-47(28-34(4)5)62(94)76-41(15)55(87)77-44(23-19-21-25-68)59(91)73-43(17)58(90)81-48(29-35(6)7)64(96)84-51(67(99)100)31-37(10)11/h33-51,53H,18-32,68-69,71H2,1-17H3,(H2,70,85)(H,72,86)(H,73,91)(H,74,92)(H,75,93)(H,76,94)(H,77,87)(H,78,95)(H,79,88)(H,80,89)(H,81,90)(H,82,97)(H,83,98)(H,84,96)(H,99,100)/t38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,53-/m0/s1
InChI key： NAQIPDKPZQTFAB-FGRXCANLSA-N
SMILES： CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O
Systematic name  (3)：
  • L-Ile-L-Asn-L-Leu-L-Lys-L-Ala-L-Leu-L-Ala-L-Ala-L-Leu-L-Ala-L-Lys-L-Ala-L-Leu-L-Leu-OH
  • (2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-アミノ-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-アミノ-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-アミノ-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]-4-メチルペンタンアミド]ヘキサンアミド]プロパンアミド]-4-メチルペンタンアミド]プロパンアミド]プロパンアミド]-4-メチルペンタンアミド]プロパンアミド]ヘキサンアミド]プロパンアミド]-4-メチルペンタンアミド]-4-メチルペンタン酸
  • (2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-carbamoylpropanamido]-4-methylpentanamido]hexanamido]propanamido]-4-methylpentanamido]propanamido]propanamido]-4-methylpentanamido]propanamido]hexanamido]propanamido]-4-methylpentanamido]-4-methylpentanoic acid
KEGG COMPOUND： C15944
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