Chem
J-GLOBAL ID：201107026226172030
Nikkaji number：J2.915.681F
N2,N6-Bis(L-Leu-L-Ala-L-Arg-L-Leu-)-N-[6-[(L-Leu-L-Ala-L-Arg-L-Leu-)amino]hexyl]-L-lysinamide
N2,N6-ビス(L-Leu-L-Ala-L-Arg-L-Leu-)-N-[6-[(L-Leu-L-Ala-L-Arg-L-Leu-)アミノ]ヘキシル]-L-リシンアミド
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： C75H145N25O13
Molecular formula furigana： C75-H145-N25-O13
Molecular weight： 1605.147
InChI：
InChI=1S/C75H145N25O13/c1-41(2)35-50(76)63(104)91-47(13)60(101)94-54(26-22-32-88-73(79)80)69(110)98-57(38-44(7)8)67(108)86-30-20-17-16-19-29-85-66(107)53(97-72(113)59(40-46(11)12)100-71(112)56(28-24-34-90-75(83)84)96-62(103)49(15)93-65(106)52(78)37-43(5)6)25-18-21-31-87-68(109)58(39-45(9)10)99-70(111)55(27-23-33-89-74(81)82)95-61(102)48(14)92-64(105)51(77)36-42(3)4/h41-59H,16-40,76-78H2,1-15H3,(H,85,107)(H,86,108)(H,87,109)(H,91,104)(H,92,105)(H,93,106)(H,94,101)(H,95,102)(H,96,103)(H,97,113)(H,98,110)(H,99,111)(H,100,112)(H4,79,80,88)(H4,81,82,89)(H4,83,84,90)/t47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-/m0/s1
InChI key：
DLWUKZHGDGSHNQ-JWKNPDOPSA-N
SMILES：
CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)NCCCCCCNC(=O)[C@H](CCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(C)C
Systematic name (3)：
- N2,N6-ビス(L-Leu-L-Ala-L-Arg-L-Leu-)-N-[6-[(L-Leu-L-Ala-L-Arg-L-Leu-)アミノ]ヘキシル]-L-リシンアミド
- (2S)-2,6-ビス[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-アミノ-4-メチルペンタンアミド]プロパンアミド]-5-カルバムイミドアミドペンタンアミド]-4-メチルペンタンアミド]-N-{6-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-アミノ-4-メチルペンタンアミド]プロパンアミド]-5-カルバムイミドアミドペンタンアミド]-4-メチルペンタンアミド]ヘキシル}ヘキサンアミド
- (2S)-2,6-bis[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]propanamido]-5-carbamimidamidopentanamido]-4-methylpentanamido]-N-{6-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]propanamido]-5-carbamimidamidopentanamido]-4-methylpentanamido]hexyl}hexanamide
- N2,N6-Bis(L-Leu-L-Ala-L-Arg-L-Leu-)-N-[6-[(L-Leu-L-Ala-L-Arg-L-Leu-)amino]hexyl]-L-lysinamide
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