Chem
J-GLOBAL ID：200907039725122083
Nikkaji number：J360.533G
N-(5-Isoquinolinylsulfonyl)-βAla-βAla-βAla-βAla-L-Ser-L-Arg-L-Arg-L-Arg-L-Arg-OH
N-(5-イソキノリニルスルホニル)-βAla-βAla-βAla-βAla-L-Ser-L-Arg-L-Arg-L-Arg-L-Arg-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： C48H80N22O13S
Molecular formula furigana： C48-H80-N22-O13-S
Molecular weight： 1205.370
InChI：
InChI=1S/C48H80N22O13S/c49-45(50)61-17-2-7-30(40(76)68-32(9-4-19-63-47(53)54)42(78)70-33(44(80)81)10-5-20-64-48(55)56)67-41(77)31(8-3-18-62-46(51)52)69-43(79)34(27-71)66-39(75)15-24-60-37(73)13-22-58-36(72)14-23-59-38(74)16-25-65-84(82,83)35-11-1-6-28-26-57-21-12-29(28)35/h1,6,11-12,21,26,30-34,65,71H,2-5,7-10,13-20,22-25,27H2,(H,58,72)(H,59,74)(H,60,73)(H,66,75)(H,67,77)(H,68,76)(H,69,79)(H,70,78)(H,80,81)(H4,49,50,61)(H4,51,52,62)(H4,53,54,63)(H4,55,56,64)/t30-,31-,32-,33-,34-/m0/s1
InChI key：
BLYZPJNFEDJINN-LJADHVKFSA-N
SMILES：
NC(=N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)CCNC(=O)CCNC(=O)CCNC(=O)CCNS(=O)(=O)c1cccc2cnccc12)C(=O)O
Systematic name (3)：
- N-(5-イソキノリニルスルホニル)-βAla-βAla-βAla-βAla-L-Ser-L-Arg-L-Arg-L-Arg-L-Arg-OH
- (2S)-5-カルバムイミドアミド-2-[(2S)-5-カルバムイミドアミド-2-[(2S)-5-カルバムイミドアミド-2-[(2S)-5-カルバムイミドアミド-2-[(2S)-3-ヒドロキシ-2-[3-(3-{3-[3-(イソキノリン-5-スルホンアミド)プロパンアミド]プロパンアミド}プロパンアミド)プロパンアミド]プロパンアミド]ペンタンアミド]ペンタンアミド]ペンタンアミド]ペンタン酸
- (2S)-5-carbamimidamido-2-[(2S)-5-carbamimidamido-2-[(2S)-5-carbamimidamido-2-[(2S)-5-carbamimidamido-2-[(2S)-3-hydroxy-2-[3-(3-{3-[3-(isoquinoline-5-sulfonamido)propanamido]propanamido}propanamido)propanamido]propanamido]pentanamido]pentanamido]pentanamido]pentanoic acid
- N-(5-Isoquinolinylsulfonyl)-βAla-βAla-βAla-βAla-L-Ser-L-Arg-L-Arg-L-Arg-L-Arg-OH
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