Chem
J-GLOBAL ID：200907007157616590
Nikkaji number：J1.718.456C
N-Amidino-L-Tyr-D-Arg-L-Phe-N-methyl-βAla-hexyl NH2
N-アミジノ-L-Tyr-D-Arg-L-Phe-N-メチル-βAla-ヘキシルNH2
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： C35H54N10O5
Molecular formula furigana： C35-H54-N10-O5
Molecular weight： 694.882
InChI：
InChI=1S/C35H54N10O5/c1-3-4-5-9-19-40-30(47)18-21-45(2)33(50)29(23-24-11-7-6-8-12-24)43-31(48)27(13-10-20-41-34(36)37)42-32(49)28(44-35(38)39)22-25-14-16-26(46)17-15-25/h6-8,11-12,14-17,27-29,46H,3-5,9-10,13,18-23H2,1-2H3,(H,40,47)(H,42,49)(H,43,48)(H4,36,37,41)(H4,38,39,44)/t27-,28+,29+/m1/s1
InChI key：
WXBOCJHPHXZRMH-ULNSLHSMSA-N
SMILES：
CCCCCCNC(=O)CCN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=N)N
Systematic name (3)：
- N-アミジノ-L-Tyr-D-Arg-L-Phe-N-メチル-βAla-ヘキシルNH2
- (2R)-5-カルバムイミドアミド-2-[(2S)-2-カルバムイミドアミド-3-(4-ヒドロキシフェニル)プロパンアミド]-N-[(1S)-1-{[2-(ヘキシルカルバモイル)エチル](メチル)カルバモイル}-2-フェニルエチル]ペンタンアミド
- (2R)-5-carbamimidamido-2-[(2S)-2-carbamimidamido-3-(4-hydroxyphenyl)propanamido]-N-[(1S)-1-{[2-(hexylcarbamoyl)ethyl](methyl)carbamoyl}-2-phenylethyl]pentanamide
- N-Amidino-L-Tyr-D-Arg-L-Phe-N-methyl-βAla-hexyl NH2
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