Chem
J-GLOBAL ID:200907003445106371   Nikkaji number:J707.024A

L-Asn-L-Tyr-L-Asp-L-Gln-L-Ile-L-Thr-Gly-L-Leu-L-His-Gly-L-Leu-L-Ser-Gly-L-Phe-L-Ala-OH

L-Asn-L-Tyr-L-Asp-L-Gln-L-Ile-L-Thr-Gly-L-Leu-L-His-Gly-L-Leu-L-Ser-Gly-L-Phe-L-Ala-OH
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: C71H105N19O23
Molecular formula furigana: C71-H105-N19-O23
Molecular weight: 1592.731
InChI: InChI=1S/C71H105N19O23/c1-9-36(6)58(89-63(104)44(19-20-52(73)94)84-68(109)50(27-57(99)100)87-67(108)48(24-40-15-17-42(93)18-16-40)85-60(101)43(72)26-53(74)95)70(111)90-59(38(8)92)69(110)78-31-56(98)81-45(21-34(2)3)65(106)86-49(25-41-28-75-33-79-41)61(102)76-29-54(96)82-46(22-35(4)5)66(107)88-51(32-91)62(103)77-30-55(97)83-47(23-39-13-11-10-12-14-39)64(105)80-37(7)71(112)113/h10-18,28,33-38,43-51,58-59,91-93H,9,19-27,29-32,72H2,1-8H3,(H2,73,94)(H2,74,95)(H,75,79)(H,76,102)(H,77,103)(H,78,110)(H,80,105)(H,81,98)(H,82,96)(H,83,97)(H,84,109)(H,85,101)(H,86,106)(H,87,108)(H,88,107)(H,89,104)(H,90,111)(H,99,100)(H,112,113)/t36-,37-,38+,43-,44-,45-,46-,47-,48-,49-,50-,51-,58-,59-/m0/s1
InChI key: LACGSGXSLJUALS-LYDIIMTGSA-N
SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)O
Systematic name  (3):
  • L-Asn-L-Tyr-L-Asp-L-Gln-L-Ile-L-Thr-Gly-L-Leu-L-His-Gly-L-Leu-L-Ser-Gly-L-Phe-L-Ala-OH
  • (3S)-3-[(2S)-2-[(2S)-2-アミノ-3-カルバモイルプロパンアミド]-3-(4-ヒドロキシフェニル)プロパンアミド]-3-{[(1S)-3-カルバモイル-1-{[(1S,2S)-1-{[(1S,2R)-1-[({[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(1S)-1-カルボキシエチル]カルバモイル}-2-フェニルエチル]カルバモイル}メチル)カルバモイル]-2-ヒドロキシエチル]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-(1H-イミダゾール-4-イル)エチル]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-ヒドロキシプロピル]カルバモイル}-2-メチルブチル]カルバモイル}プロピル]カルバモイル}プロパン酸
  • (3S)-3-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-{[(1S)-3-carbamoyl-1-{[(1S,2S)-1-{[(1S,2R)-1-[({[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(1S)-1-carboxyethyl]carbamoyl}-2-phenylethyl]carbamoyl}methyl)carbamoyl]-2-hydroxyethyl]carbamoyl}-3-methylbutyl]carbamoyl}methyl)carbamoyl]-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-3-methylbutyl]carbamoyl}methyl)carbamoyl]-2-hydroxypropyl]carbamoyl}-2-methylbutyl]carbamoyl}propyl]carbamoyl}propanoic acid
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