Chem
J-GLOBAL ID:200907051395855429   Nikkaji number:J2.085.353K

Met-Pro-Cys-Thr-Glu-Asp-Tyr-Leu-Ser-Leu-Ile-Leu-Arg-OH

Met-Pro-Cys-Thr-Glu-Asp-Tyr-Leu-Ser-Leu-Ile-Leu-Arg-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: C68H112N16O21S2
Molecular formula furigana: C68-H112-N16-O21-S2
Molecular weight: 1553.860
InChI: InChI=1S/C68H112N16O21S2/c1-11-36(8)53(64(101)79-44(27-34(4)5)56(93)74-42(67(104)105)14-12-23-72-68(70)71)82-60(97)45(28-35(6)7)76-61(98)48(31-85)80-57(94)43(26-33(2)3)75-58(95)46(29-38-16-18-39(87)19-17-38)77-59(96)47(30-52(90)91)78-55(92)41(20-21-51(88)89)73-65(102)54(37(9)86)83-62(99)49(32-106)81-63(100)50-15-13-24-84(50)66(103)40(69)22-25-107-10/h16-19,33-37,40-50,53-54,85-87,106H,11-15,20-32,69H2,1-10H3,(H,73,102)(H,74,93)(H,75,95)(H,76,98)(H,77,96)(H,78,92)(H,79,101)(H,80,94)(H,81,100)(H,82,97)(H,83,99)(H,88,89)(H,90,91)(H,104,105)(H4,70,71,72)/t36-,37+,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,53-,54-/m0/s1
InChI key: ADCLYEIVDVKLPO-VHQKPKHNSA-N
SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCSC)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O
Systematic name  (3):
  • Met-Pro-Cys-Thr-Glu-Asp-Tyr-Leu-Ser-Leu-Ile-Leu-Arg-OH
  • (4S)-4-[(2S,3R)-2-[(2R)-2-{[(2S)-1-[(2S)-2-アミノ-4-(メチルスルファニル)ブタノイル]ピロリジン-2-イル]ホルムアミド}-3-スルファニルプロパンアミド]-3-ヒドロキシブタンアミド]-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S,2S)-1-{[(1S)-1-{[(1S)-4-カルバムイミドアミド-1-カルボキシブチル]カルバモイル}-3-メチルブチル]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]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}-2-(4-ヒドロキシフェニル)エチル]カルバモイル}-2-カルボキシエチル]カルバモイル}ブタン酸
  • (4S)-4-[(2S,3R)-2-[(2R)-2-{[(2S)-1-[(2S)-2-amino-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanamido]-3-hydroxybutanamido]-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S,2S)-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-methylbutyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-carboxyethyl]carbamoyl}butanoic acid
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