Chem
J-GLOBAL ID:200907025216149494   Nikkaji number:J851.735E

O-Ac-L-Tyr-L-Val-L-Ala-L-Asp-L-Cys-L-Met-L-Lys-OH

O-Ac-L-Tyr-L-Val-L-Ala-L-Asp-L-Cys-L-Met-L-Lys-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: C37H58N8O12S2
Molecular formula furigana: C37-H58-N8-O12-S2
Molecular weight: 871.040
InChI: InChI=1S/C37H58N8O12S2/c1-19(2)30(45-32(50)24(39)16-22-9-11-23(12-10-22)57-21(4)46)36(54)40-20(3)31(49)43-27(17-29(47)48)34(52)44-28(18-58)35(53)41-25(13-15-59-5)33(51)42-26(37(55)56)8-6-7-14-38/h9-12,19-20,24-28,30,58H,6-8,13-18,38-39H2,1-5H3,(H,40,54)(H,41,53)(H,42,51)(H,43,49)(H,44,52)(H,45,50)(H,47,48)(H,55,56)/t20-,24-,25-,26-,27-,28-,30-/m0/s1
InChI key: BVPKWTMJAMNTEY-XAIUJWLNSA-N
SMILES: CSCC[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(OC(=O)C)cc1)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)O
Systematic name  (3):
  • O-Ac-L-Tyr-L-Val-L-Ala-L-Asp-L-Cys-L-Met-L-Lys-OH
  • (2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-3-[4-(アセチルオキシ)フェニル]-2-アミノプロパンアミド]-3-メチルブタンアミド]プロパンアミド]-3-カルボキシプロパンアミド]-3-スルファニルプロパンアミド]-4-(メチルスルファニル)ブタンアミド]-6-アミノヘキサン酸
  • (2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-3-[4-(acetyloxy)phenyl]-2-aminopropanamido]-3-methylbutanamido]propanamido]-3-carboxypropanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-6-aminohexanoic acid
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