Chem
J-GLOBAL ID:200907048967588558   Nikkaji number:J2.056.333H

His-Arg-Cys-Gly-Ser-Trp-Leu-His-Pro-Cys-Leu-Ala-OH

His-Arg-Cys-Gly-Ser-Trp-Leu-His-Pro-Cys-Leu-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: C60H90N20O14S2
Molecular formula furigana: C60-H90-N20-O14-S2
Molecular weight: 1379.630
InChI: InChI=1S/C60H90N20O14S2/c1-30(2)16-40(52(86)71-32(5)59(93)94)75-56(90)46(27-96)79-57(91)47-13-9-15-80(47)58(92)43(20-35-23-65-29-70-35)77-53(87)41(17-31(3)4)74-54(88)42(18-33-21-67-38-11-7-6-10-36(33)38)76-55(89)44(25-81)72-48(82)24-68-50(84)45(26-95)78-51(85)39(12-8-14-66-60(62)63)73-49(83)37(61)19-34-22-64-28-69-34/h6-7,10-11,21-23,28-32,37,39-47,67,81,95-96H,8-9,12-20,24-27,61H2,1-5H3,(H,64,69)(H,65,70)(H,68,84)(H,71,86)(H,72,82)(H,73,83)(H,74,88)(H,75,90)(H,76,89)(H,77,87)(H,78,85)(H,79,91)(H,93,94)(H4,62,63,66)/t32-,37-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1
InChI key: NHBYNJDAOAYFSD-CHAYOGGFSA-N
SMILES: CC(C)C[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)O
Systematic name  (3):
  • His-Arg-Cys-Gly-Ser-Trp-Leu-His-Pro-Cys-Leu-Ala-OH
  • (2S)-2-[(2S)-2-[(2R)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2R)-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]-5-カルバムイミドアミドペンタンアミド]-3-スルファニルプロパンアミド]アセトアミド}-3-ヒドロキシプロパンアミド]-3-(1H-インドール-3-イル)プロパンアミド]-4-メチルペンタンアミド]-3-(1H-イミダゾール-4-イル)プロパノイル]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]-4-メチルペンタンアミド]プロパン酸
  • (2S)-2-[(2S)-2-[(2R)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanamido]-3-sulfanylpropanamido]acetamido}-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanamido]-4-methylpentanamido]-3-(1H-imidazol-4-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanamido]-4-methylpentanamido]propanoic acid
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