Chem
J-GLOBAL ID：200907078266864506
Nikkaji number：J1.949.331H
L-Asn-L-Lys-L-Arg-Gly-L-Lys-L-Ala-L-Lys-L-Arg-Gly-L-Ala-L-Ser-L-Pro-L-Arg-L-Val-L-Lys-OH
L-Asn-L-Lys-L-Arg-Gly-L-Lys-L-Ala-L-Lys-L-Arg-Gly-L-Ala-L-Ser-L-Pro-L-Arg-L-Val-L-Lys-OH
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： C69H129N29O18
Molecular formula furigana： C69-H129-N29-O18
Molecular weight： 1652.976
InChI：
InChI=1S/C69H129N29O18/c1-37(2)53(64(113)95-47(66(115)116)20-8-12-28-73)97-62(111)46(23-15-31-84-69(80)81)94-63(112)49-24-16-32-98(49)65(114)48(36-99)96-54(103)38(3)87-51(101)34-85-57(106)41(21-13-29-82-67(76)77)92-60(109)44(18-6-10-26-71)90-55(104)39(4)88-59(108)43(17-5-9-25-70)89-52(102)35-86-58(107)42(22-14-30-83-68(78)79)93-61(110)45(19-7-11-27-72)91-56(105)40(74)33-50(75)100/h37-49,53,99H,5-36,70-74H2,1-4H3,(H2,75,100)(H,85,106)(H,86,107)(H,87,101)(H,88,108)(H,89,102)(H,90,104)(H,91,105)(H,92,109)(H,93,110)(H,94,112)(H,95,113)(H,96,103)(H,97,111)(H,115,116)(H4,76,77,82)(H4,78,79,83)(H4,80,81,84)/t38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,53-/m0/s1
InChI key：
PKLVCZCFZFBTQL-YJTWTUJQSA-N
SMILES：
CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)O
Systematic name (3)：
- L-Asn-L-Lys-L-Arg-Gly-L-Lys-L-Ala-L-Lys-L-Arg-Gly-L-Ala-L-Ser-L-Pro-L-Arg-L-Val-L-Lys-OH
- (2S)-6-アミノ-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-6-アミノ-2-[(2S)-2-[(2S)-6-アミノ-2-{2-[(2S)-2-[(2S)-6-アミノ-2-[(2S)-2-アミノ-3-カルバモイルプロパンアミド]ヘキサンアミド]-5-カルバムイミドアミドペンタンアミド]アセトアミド}ヘキサンアミド]プロパンアミド]ヘキサンアミド]-5-カルバムイミドアミドペンタンアミド]アセトアミド}プロパンアミド]-3-ヒドロキシプロパノイル]ピロリジン-2-イル]ホルムアミド}-5-カルバムイミドアミドペンタンアミド]-3-メチルブタンアミド]ヘキサン酸
- (2S)-6-amino-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-6-amino-2-{2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-carbamoylpropanamido]hexanamido]-5-carbamimidamidopentanamido]acetamido}hexanamido]propanamido]hexanamido]-5-carbamimidamidopentanamido]acetamido}propanamido]-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanamido]-3-methylbutanamido]hexanoic acid
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