Chem
J-GLOBAL ID:200907049185839299
Nikkaji number:J2.138.307D
(R)-N-[2-(3-Guanidinobenzoyl)hydrazinocarbonyl]-3-[4-[5-[5-[5-[[(S)-1-carboxy-2-mercaptoethyl]carbamoyl]pentylcarbamoyl]pentylcarbamoyl]pentylcarbamoyl]phenyl]-β-alanine
(R)-N-[2-(3-グアニジノベンゾイル)ヒドラジノカルボニル]-3-[4-[5-[5-[5-[[(S)-1-カルボキシ-2-メルカプトエチル]カルバモイル]ペンチルカルバモイル]ペンチルカルバモイル]ペンチルカルバモイル]フェニル]-β-アラニン
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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:
C40 H58 N10 O10 S
Molecular formula furigana:
C40-H58-N10-O10-S
Molecular weight:
871.020
InChI:
InChI=1S/C40H58N10O10S/c41-39(42)46-29-12-10-11-28(23-29)37(57)49-50-40(60)48-30(24-35(54)55)26-16-18-27(19-17-26)36(56)45-22-9-2-5-14-33(52)43-20-7-1-4-13-32(51)44-21-8-3-6-15-34(53)47-31(25-61)38(58)59/h10-12,16-19,23,30-31,61H,1-9,13-15,20-22,24-25H2,(H,43,52)(H,44,51)(H,45,56)(H,47,53)(H,49,57)(H,54,55)(H,58,59)(H4,41,42,46)(H2,48,50,60)/t30-,31-/m1/s1
InChI key:
FKZIOUIMBBJUAU-FIRIVFDPSA-N
SMILES:
NC(=N)Nc1cccc(c1)C(=O)NNC(=O)N[C@H](CC(=O)O)c1ccc(cc1)C(=O)NCCCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)N[C@H](CS)C(=O)O
Systematic name (3):
(R)-N-[2-(3-グアニジノベンゾイル)ヒドラジノカルボニル]-3-[4-[5-[5-[5-[[(S)-1-カルボキシ-2-メルカプトエチル]カルバモイル]ペンチルカルバモイル]ペンチルカルバモイル]ペンチルカルバモイル]フェニル]-β-アラニン
(2S)-2-(6-{6-[6-({4-[(1R)-1-{[N'-(3-カルバムイミドアミドベンゾイル)ヒドラジンカルボニル]アミノ}-2-カルボキシエチル]フェニル}ホルムアミド)ヘキサンアミド]ヘキサンアミド}ヘキサンアミド)-3-スルファニルプロパン酸
(2S)-2-(6-{6-[6-({4-[(1R)-1-{[N'-(3-carbamimidamidobenzoyl)hydrazinecarbonyl]amino}-2-carboxyethyl]phenyl}formamido)hexanamido]hexanamido}hexanamido)-3-sulfanylpropanoic acid
Other name (1):
(R)-N-[2-(3-Guanidinobenzoyl)hydrazinocarbonyl]-3-[4-[5-[5-[5-[[(S)-1-carboxy-2-mercaptoethyl]carbamoyl]pentylcarbamoyl]pentylcarbamoyl]pentylcarbamoyl]phenyl]-β-alanine
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