Chem
J-GLOBAL ID:200907027741146180   Nikkaji number:J2.002.734G

Ac-L-Cys(1)-L-Pro-L-Thr-L-Cys(1)-NH2

Ac-L-Cys(1)-L-Pro-L-Thr-L-Cys(1)-NH2
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: C17H27N5O6S2
Molecular formula furigana: C17-H27-N5-O6-S2
Molecular weight: 461.550
InChI: InChI=1S/C17H27N5O6S2/c1-8(23)13-16(27)20-10(14(18)25)6-29-30-7-11(19-9(2)24)17(28)22-5-3-4-12(22)15(26)21-13/h8,10-13,23H,3-7H2,1-2H3,(H2,18,25)(H,19,24)(H,20,27)(H,21,26)/t8-,10+,11+,12+,13+/m1/s1
InChI key: GXTGPYUBBLMFQI-QFEZGCEISA-N
SMILES: C[C@@H](O)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N)NC(=O)C
Systematic name  (3):
  • Ac-L-Cys(1)-L-Pro-L-Thr-L-Cys(1)-NH2
  • (3S,6R,11R,16aS)-11-アセトアミド-3-[(1R)-1-ヒドロキシエチル]-1,4,12-トリオキソ-テトラデカヒドロピロロ[2,1-j]1,2-ジチア-5,8,11-トリアザシクロテトラデカン-6-カルボキサミド
  • (3S,6R,11R,16aS)-11-acetamido-3-[(1R)-1-hydroxyethyl]-1,4,12-trioxo-tetradecahydropyrrolo[2,1-j]1,2-dithia-5,8,11-triazacyclotetradecane-6-carboxamide
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