Chem
J-GLOBAL ID:201007035304711948   Nikkaji number:J2.799.545D

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

L-Ile-L-Asn-L-Leu-L-Lys-L-Ala-L-Lys-L-Ala-L-Ala-L-Leu-L-Ala-L-Lys-L-Lys-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: C70H131N19O16
Molecular formula furigana: C70-H131-N19-O16
Molecular weight: 1494.935
InChI: InChI=1S/C70H131N19O16/c1-15-41(10)56(76)69(103)88-53(36-55(75)90)68(102)87-51(33-38(4)5)66(100)84-47(25-17-21-29-72)62(96)79-44(13)58(92)81-46(24-16-20-28-71)61(95)78-42(11)57(91)77-43(12)60(94)85-50(32-37(2)3)65(99)80-45(14)59(93)82-48(26-18-22-30-73)63(97)83-49(27-19-23-31-74)64(98)86-52(34-39(6)7)67(101)89-54(70(104)105)35-40(8)9/h37-54,56H,15-36,71-74,76H2,1-14H3,(H2,75,90)(H,77,91)(H,78,95)(H,79,96)(H,80,99)(H,81,92)(H,82,93)(H,83,97)(H,84,100)(H,85,94)(H,86,98)(H,87,102)(H,88,103)(H,89,101)(H,104,105)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,56-/m0/s1
InChI key: IPXIXXMXWWPJFK-ZWFWRLIFSA-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](CCCCN)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](CCCCN)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-Lys-L-Ala-L-Ala-L-Leu-L-Ala-L-Lys-L-Lys-L-Leu-L-Leu-OH
  • (2S)-2-[(2S)-2-[(2S)-6-アミノ-2-[(2S)-6-アミノ-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-アミノ-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]ヘキサンアミド]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]ヘキサンアミド]-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)-6-amino-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-carbamoylpropanamido]-4-methylpentanamido]hexanamido]propanamido]hexanamido]propanamido]propanamido]-4-methylpentanamido]propanamido]hexanamido]hexanamido]-4-methylpentanamido]-4-methylpentanoic acid
KEGG COMPOUND: C15946
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