Chem
J-GLOBAL ID:200907025216101432   Nikkaji number:J2.264.269C

Asp-Met-Thr-Cys-Gly-Gly-Cys-Ala-OH

Asp-Met-Thr-Cys-Gly-Gly-Cys-Ala-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: C26H44N8O12S3
Molecular formula furigana: C26-H44-N8-O12-S3
Molecular weight: 756.860
InChI: InChI=1S/C26H44N8O12S3/c1-11(26(45)46)30-24(43)16(10-48)31-18(37)8-28-17(36)7-29-22(41)15(9-47)33-25(44)20(12(2)35)34-23(42)14(4-5-49-3)32-21(40)13(27)6-19(38)39/h11-16,20,35,47-48H,4-10,27H2,1-3H3,(H,28,36)(H,29,41)(H,30,43)(H,31,37)(H,32,40)(H,33,44)(H,34,42)(H,38,39)(H,45,46)/t11-,12+,13-,14-,15-,16-,20-/m0/s1
InChI key: NHMSNENCSZWWBC-WIGDFRRSSA-N
SMILES: CSCC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CS)C(=O)NCC(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)O
Systematic name  (3):
  • Asp-Met-Thr-Cys-Gly-Gly-Cys-Ala-OH
  • (3S)-3-アミノ-3-{[(1S)-1-{[(1S,2R)-1-{[(1R)-1-({[({[(1R)-1-{[(1S)-1-カルボキシエチル]カルバモイル}-2-スルファニルエチル]カルバモイル}メチル)カルバモイル]メチル}カルバモイル)-2-スルファニルエチル]カルバモイル}-2-ヒドロキシプロピル]カルバモイル}-3-(メチルスルファニル)プロピル]カルバモイル}プロパン酸
  • (3S)-3-amino-3-{[(1S)-1-{[(1S,2R)-1-{[(1R)-1-({[({[(1R)-1-{[(1S)-1-carboxyethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}methyl)carbamoyl]methyl}carbamoyl)-2-sulfanylethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid
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