Chem
J-GLOBAL ID:200907025135252762   Nikkaji number:J457.341B

N-Ac-L-His-L-Lys-L-Asp-L-Phe-L-Phe-L-Phe-D-Ala-L-Arg-OH

N-Ac-L-His-L-Lys-L-Asp-L-Phe-L-Phe-L-Phe-D-Ala-L-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: C54H72N14O12
Molecular formula furigana: C54-H72-N14-O12
Molecular weight: 1109.256
InChI: InChI=1S/C54H72N14O12/c1-32(46(72)64-39(53(79)80)22-14-24-59-54(56)57)61-48(74)40(25-34-15-6-3-7-16-34)65-49(75)41(26-35-17-8-4-9-18-35)66-50(76)42(27-36-19-10-5-11-20-36)67-52(78)44(29-45(70)71)68-47(73)38(21-12-13-23-55)63-51(77)43(62-33(2)69)28-37-30-58-31-60-37/h3-11,15-20,30-32,38-44H,12-14,21-29,55H2,1-2H3,(H,58,60)(H,61,74)(H,62,69)(H,63,77)(H,64,72)(H,65,75)(H,66,76)(H,67,78)(H,68,73)(H,70,71)(H,79,80)(H4,56,57,59)/t32-,38+,39+,40+,41+,42+,43+,44+/m1/s1
InChI key: ZVSBXSDBKYEQLI-XZHOVHRMSA-N
SMILES: C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O
Systematic name  (3):
  • N-Ac-L-His-L-Lys-L-Asp-L-Phe-L-Phe-L-Phe-D-Ala-L-Arg-OH
  • (2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-アミノ-2-[(2S)-2-アセトアミド-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]-3-カルボキシプロパンアミド]-3-フェニルプロパンアミド]-3-フェニルプロパンアミド]-3-フェニルプロパンアミド]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-[(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-acetamido-3-(1H-imidazol-4-yl)propanamido]hexanamido]-3-carboxypropanamido]-3-phenylpropanamido]-3-phenylpropanamido]-3-phenylpropanamido]propanamido]-5-carbamimidamidopentanoic acid
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