Chem
J-GLOBAL ID：201107049025622143
Nikkaji number：J2.915.682D
N,N′-Bis[N2,N6-bis(L-Leu-L-Ala-L-Arg-L-Leu-)-L-lysyl]-1,6-hexanediamine
N,N′-ビス[N2,N6-ビス(L-Leu-L-Ala-L-Arg-L-Leu-)-L-リシル]-1,6-ヘキサンジアミン
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： C102H196N34O18
Molecular formula furigana： C102-H196-N34-O18
Molecular weight： 2186.910
InChI：
InChI=1S/C102H196N34O18/c1-55(2)47-67(103)85(141)123-63(17)81(137)127-73(35-29-43-119-99(107)108)93(149)133-77(51-59(9)10)91(147)117-41-27-23-33-71(131-97(153)79(53-61(13)14)135-95(151)75(37-31-45-121-101(111)112)129-83(139)65(19)125-87(143)69(105)49-57(5)6)89(145)115-39-25-21-22-26-40-116-90(146)72(132-98(154)80(54-62(15)16)136-96(152)76(38-32-46-122-102(113)114)130-84(140)66(20)126-88(144)70(106)50-58(7)8)34-24-28-42-118-92(148)78(52-60(11)12)134-94(150)74(36-30-44-120-100(109)110)128-82(138)64(18)124-86(142)68(104)48-56(3)4/h55-80H,21-54,103-106H2,1-20H3,(H,115,145)(H,116,146)(H,117,147)(H,118,148)(H,123,141)(H,124,142)(H,125,143)(H,126,144)(H,127,137)(H,128,138)(H,129,139)(H,130,140)(H,131,153)(H,132,154)(H,133,149)(H,134,150)(H,135,151)(H,136,152)(H4,107,108,119)(H4,109,110,120)(H4,111,112,121)(H4,113,114,122)/t63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-/m0/s1
InChI key：
ULWQHBBGEMYCGY-YGUKMAFDSA-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)NCCCC[C@H](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)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)：
- N,N′-ビス[N2,N6-ビス(L-Leu-L-Ala-L-Arg-L-Leu-)-L-リシル]-1,6-ヘキサンジアミン
- (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)-2,6-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]ヘキサンアミド]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)-2,6-bis[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]propanamido]-5-carbamimidamidopentanamido]-4-methylpentanamido]hexanamido]hexyl}hexanamide
- N,N′-Bis[N2,N6-bis(L-Leu-L-Ala-L-Arg-L-Leu-)-L-lysyl]-1,6-hexanediamine
Return to Previous Page
