Chem
J-GLOBAL ID:200907004115738394   Nikkaji number:J1.728.677C

L-Arg-D-Trp-D-Phe-L-Ile-D-Phe-L-His-L-Lys-L-Lys-L-Pro-NH2

L-Arg-D-Trp-D-Phe-L-Ile-D-Phe-L-His-L-Lys-L-Lys-L-Pro-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: C64H92N18O9
Molecular formula furigana: C64-H92-N18-O9
Molecular weight: 1257.557
InChI: InChI=1S/C64H92N18O9/c1-3-39(2)54(81-61(89)50(33-41-20-8-5-9-21-41)78-59(87)51(34-42-36-73-46-24-11-10-22-44(42)46)77-56(84)45(67)23-16-30-72-64(69)70)62(90)80-49(32-40-18-6-4-7-19-40)58(86)79-52(35-43-37-71-38-74-43)60(88)75-47(25-12-14-28-65)57(85)76-48(26-13-15-29-66)63(91)82-31-17-27-53(82)55(68)83/h4-11,18-22,24,36-39,45,47-54,73H,3,12-17,23,25-35,65-67H2,1-2H3,(H2,68,83)(H,71,74)(H,75,88)(H,76,85)(H,77,84)(H,78,87)(H,79,86)(H,80,90)(H,81,89)(H4,69,70,72)/t39-,45-,47-,48-,49+,50+,51+,52-,53-,54-/m0/s1
InChI key: BNLQZAQEXGEVPA-ZFSSCWILSA-N
SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N
Systematic name  (3):
  • L-Arg-D-Trp-D-Phe-L-Ile-D-Phe-L-His-L-Lys-L-Lys-L-Pro-NH2
  • (2S)-1-[(2S)-6-アミノ-2-[(2S)-6-アミノ-2-[(2S)-2-[(2R)-2-[(2S,3S)-2-[(2R)-2-[(2R)-2-[(2S)-2-アミノ-5-カルバムイミドアミドペンタンアミド]-3-(1H-インドール-3-イル)プロパンアミド]-3-フェニルプロパンアミド]-3-メチルペンタンアミド]-3-フェニルプロパンアミド]-3-(1H-イミダゾール-4-イル)プロパンアミド]ヘキサンアミド]ヘキサノイル]ピロリジン-2-カルボキサミド
  • (2S)-1-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2-[(2R)-2-[(2S,3S)-2-[(2R)-2-[(2R)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]-3-phenylpropanamido]-3-methylpentanamido]-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanamido]hexanamido]hexanoyl]pyrrolidine-2-carboxamide
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