Chem
J-GLOBAL ID：200907001208852325
Nikkaji number：J782.999J
Leu-Callatostatin 4
Leu-カラトスタチン4
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： C44H65N13O11
Molecular formula furigana： C44-H65-N13-O11
Molecular weight： 952.084
InChI：
InChI=1S/C44H65N13O11/c1-24(2)18-30(37(47)62)52-36(61)22-51-39(64)31(19-25-8-4-3-5-9-25)54-41(66)33(23-58)56-40(65)32(20-26-12-14-27(59)15-13-26)55-42(67)34-11-7-17-57(34)43(68)29(10-6-16-50-44(48)49)53-38(63)28(45)21-35(46)60/h3-5,8-9,12-15,24,28-34,58-59H,6-7,10-11,16-23,45H2,1-2H3,(H2,46,60)(H2,47,62)(H,51,64)(H,52,61)(H,53,63)(H,54,66)(H,55,67)(H,56,65)(H4,48,49,50)/t28-,29-,30-,31-,32-,33-,34-/m0/s1
InChI key：
GQYPEVDXIFLMOO-NXBWRCJVSA-N
SMILES：
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)N)C(=O)N
Systematic name (3)：
- Asn-Arg-Pro-Tyr-Ser-Phe-Gly-Leu-NH2
- (2S)-2-アミノ-N-[(2S)-5-カルバムイミドアミド-1-[(2S)-2-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-カルバモイル-3-メチルブチル]カルバモイル}メチル)カルバモイル]-2-フェニルエチル]カルバモイル}-2-ヒドロキシエチル]カルバモイル}-2-(4-ヒドロキシフェニル)エチル]カルバモイル}ピロリジン-1-イル]-1-オキソペンタン-2-イル]ブタンジアミド
- (2S)-2-amino-N-[(2S)-5-carbamimidamido-1-[(2S)-2-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}methyl)carbamoyl]-2-phenylethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}pyrrolidin-1-yl]-1-oxopentan-2-yl]butanediamide
- Leu-カラトスタチン4
- Leu-Callatostatin 4
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