Chem
J-GLOBAL ID:200907049195486025   Nikkaji number:J1.667.931C

Pro-Pro-Gly-Phe-Ser-Pro-4-Bromo-Phe-Arg-OH

Pro-Pro-Gly-Phe-Ser-Pro-4-ブロモ-Phe-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: C44H60BrN11O10
Molecular formula furigana: C44-H60-BR-N11-O10
Molecular weight: 982.935
InChI: InChI=1S/C44H60BrN11O10/c45-28-16-14-27(15-17-28)23-32(38(60)52-30(43(65)66)11-5-19-49-44(46)47)53-40(62)35-13-7-21-56(35)42(64)33(25-57)54-37(59)31(22-26-8-2-1-3-9-26)51-36(58)24-50-39(61)34-12-6-20-55(34)41(63)29-10-4-18-48-29/h1-3,8-9,14-17,29-35,48,57H,4-7,10-13,18-25H2,(H,50,61)(H,51,58)(H,52,60)(H,53,62)(H,54,59)(H,65,66)(H4,46,47,49)/t29-,30-,31-,32-,33-,34-,35-/m0/s1
InChI key: HZERGNNLSFFOGB-POFDKVPJSA-N
SMILES: NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O
Systematic name  (3):
  • Pro-Pro-Gly-Phe-Ser-Pro-4-ブロモ-Phe-Arg-OH
  • (2S)-2-[(2S)-3-(4-ブロモフェニル)-2-{[(2S)-1-[(2S)-3-ヒドロキシ-2-[(2S)-3-フェニル-2-(2-{[(2S)-1-[(2S)-ピロリジン-2-カルボニル]ピロリジン-2-イル]ホルムアミド}アセトアミド)プロパンアミド]プロパノイル]ピロリジン-2-イル]ホルムアミド}プロパンアミド]-5-カルバムイミドアミドペンタン酸
  • (2S)-2-[(2S)-3-(4-bromophenyl)-2-{[(2S)-1-[(2S)-3-hydroxy-2-[(2S)-3-phenyl-2-(2-{[(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]formamido}acetamido)propanamido]propanoyl]pyrrolidin-2-yl]formamido}propanamido]-5-carbamimidamidopentanoic acid
Other name (1):
  • Pro-Pro-Gly-Phe-Ser-Pro-4-Bromo-Phe-Arg-OH
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