Chem
J-GLOBAL ID:200907060192292690   Nikkaji number:J652.623C

L-His-L-Tyr-L-Ile-L-Asn-L-Leu-L-Ile-L-Tyr-L-Arg-L-Leu-L-Arg-L-Tyr-NH2

L-His-L-Tyr-L-Ile-L-Asn-L-Leu-L-Ile-L-Tyr-L-Arg-L-Leu-L-Arg-L-Tyr-NH2
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: C73H111N21O15
Molecular formula furigana: C73-H111-N21-O15
Molecular weight: 1522.823
InChI: InChI=1S/C73H111N21O15/c1-9-40(7)59(93-68(106)54(30-39(5)6)90-67(105)57(35-58(75)98)92-71(109)60(41(8)10-2)94-69(107)56(33-44-19-25-48(97)26-20-44)88-62(100)49(74)34-45-36-81-37-84-45)70(108)91-55(32-43-17-23-47(96)24-18-43)66(104)86-51(14-12-28-83-73(79)80)64(102)89-53(29-38(3)4)65(103)85-50(13-11-27-82-72(77)78)63(101)87-52(61(76)99)31-42-15-21-46(95)22-16-42/h15-26,36-41,49-57,59-60,95-97H,9-14,27-35,74H2,1-8H3,(H2,75,98)(H2,76,99)(H,81,84)(H,85,103)(H,86,104)(H,87,101)(H,88,100)(H,89,102)(H,90,105)(H,91,108)(H,92,109)(H,93,106)(H,94,107)(H4,77,78,82)(H4,79,80,83)/t40-,41-,49-,50-,51-,52-,53-,54-,55-,56-,57-,59-,60-/m0/s1
InChI key: ZRKBESXKDPPUOL-LJLLXVPASA-N
SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N
Systematic name  (3):
  • L-His-L-Tyr-L-Ile-L-Asn-L-Leu-L-Ile-L-Tyr-L-Arg-L-Leu-L-Arg-L-Tyr-NH2
  • (2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-アミノ-3-(1H-イミダゾール-4-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-メチルペンタンアミド]-N-[(1S)-1-{[(1S,2S)-1-{[(1S)-1-{[(1S)-4-カルバムイミドアミド-1-{[(1S)-1-{[(1S)-4-カルバムイミドアミド-1-{[(1S)-1-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}ブチル]カルバモイル}-3-メチルブチル]カルバモイル}ブチル]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}-2-メチルブチル]カルバモイル}-3-メチルブチル]ブタンジアミド
  • (2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-N-[(1S)-1-{[(1S,2S)-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-2-(4-hydroxyphenyl)ethyl]carbamoyl}butyl]carbamoyl}-3-methylbutyl]carbamoyl}butyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-methylbutyl]carbamoyl}-3-methylbutyl]butanediamide
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