Chem
J-GLOBAL ID:200907077787765532   Nikkaji number:J684.161I

Ac-3,3-Diphenyl-D-Ala-L-Leu-O-sodio-L-Hse-L-Ile-L-Ile-L-Trp-ONa

Ac-3,3-ジフェニル-D-Ala-L-Leu-O-ソジオ-L-Hse-L-Ile-L-Ile-L-Trp-ONa
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: C50H65N7Na2O9
Molecular formula furigana: C50-H65-N7-NA2-O9
Molecular weight: 954.090
InChI: InChI=1S/C50H66N7O9.2Na/c1-8-30(5)42(47(62)55-40(50(65)66)27-35-28-51-37-23-17-16-22-36(35)37)57-48(63)43(31(6)9-2)56-45(60)38(24-25-58)53-46(61)39(26-29(3)4)54-49(64)44(52-32(7)59)41(33-18-12-10-13-19-33)34-20-14-11-15-21-34;;/h10-23,28-31,38-44,51H,8-9,24-27H2,1-7H3,(H,52,59)(H,53,61)(H,54,64)(H,55,62)(H,56,60)(H,57,63)(H,65,66);;/q-1;2*+1/p-1/t30-,31-,38-,39-,40-,42-,43-,44+;;/m0../s1
InChI key: SIVXUZSPIOEIEP-ZDEWOJRVSA-M
SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCO[Na])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C)C(c1ccccc1)c1ccccc1)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O[Na]
Systematic name  (3):
  • Ac-3,3-ジフェニル-D-Ala-L-Leu-O-ソジオ-L-Hse-L-Ile-L-Ile-L-Trp-ONa
  • ナトリウム (2S)-2-[(2S,3S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2R)-2-アセトアミド-3,3-ジフェニルプロパンアミド]-4-メチルペンタンアミド]-4-(ソジオオキシ)ブタンアミド]-3-メチルペンタンアミド]-3-メチルペンタンアミド]-3-(1H-インドール-3-イル)プロパノアート
  • sodium (2S)-2-[(2S,3S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2R)-2-acetamido-3,3-diphenylpropanamido]-4-methylpentanamido]-4-(sodiooxy)butanamido]-3-methylpentanamido]-3-methylpentanamido]-3-(1H-indol-3-yl)propanoate
Other name (1):
  • Ac-3,3-Diphenyl-D-Ala-L-Leu-O-sodio-L-Hse-L-Ile-L-Ile-L-Trp-ONa
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