Chem
J-GLOBAL ID:200907017038626272   Nikkaji number:J1.177.256K

Tyr-Met-Asp-Gly-Thr-Met-Ser-Gln-Val-OH

Tyr-Met-Asp-Gly-Thr-Met-Ser-Gln-Val-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: C42H66N10O16S2
Molecular formula furigana: C42-H66-N10-O16-S2
Molecular weight: 1031.160
InChI: InChI=1S/C42H66N10O16S2/c1-20(2)33(42(67)68)52-39(64)25(10-11-30(44)56)47-40(65)29(19-53)50-38(63)27(13-15-70-5)48-41(66)34(21(3)54)51-31(57)18-45-36(61)28(17-32(58)59)49-37(62)26(12-14-69-4)46-35(60)24(43)16-22-6-8-23(55)9-7-22/h6-9,20-21,24-29,33-34,53-55H,10-19,43H2,1-5H3,(H2,44,56)(H,45,61)(H,46,60)(H,47,65)(H,48,66)(H,49,62)(H,50,63)(H,51,57)(H,52,64)(H,58,59)(H,67,68)/t21-,24+,25+,26+,27+,28+,29+,33+,34+/m1/s1
InChI key: MFDQNJLLKIATDB-ZSGRDTBASA-N
SMILES: CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)O
Systematic name  (3):
  • Tyr-Met-Asp-Gly-Thr-Met-Ser-Gln-Val-OH
  • (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-アミノ-3-(4-ヒドロキシフェニル)プロパンアミド]-4-(メチルスルファニル)ブタンアミド]-3-カルボキシプロパンアミド]アセトアミド}-3-ヒドロキシブタンアミド]-4-(メチルスルファニル)ブタンアミド]-3-ヒドロキシプロパンアミド]-4-カルバモイルブタンアミド]-3-メチルブタン酸
  • (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-3-carboxypropanamido]acetamido}-3-hydroxybutanamido]-4-(methylsulfanyl)butanamido]-3-hydroxypropanamido]-4-carbamoylbutanamido]-3-methylbutanoic acid
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