Chem
J-GLOBAL ID:200907050997652620   Nikkaji number:J1.692.497K

Cyclo(L-Ser-β-Ala-L-Phe-L-Ile-L-Asp-)

シクロ(L-Ser-β-Ala-L-Phe-L-Ile-L-Asp-)
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: C25H35N5O8
Molecular formula furigana: C25-H35-N5-O8
Molecular weight: 533.582
InChI: InChI=1S/C25H35N5O8/c1-4-12(2)19-24(37)27-15(10-17(32)33)22(35)28-16(11-31)23(36)30-20(25(38)29-19)18(21(34)13(3)26)14-8-6-5-7-9-14/h5-9,12-13,15-16,18-20,31H,4,10-11,26H2,1-3H3,(H,27,37)(H,28,35)(H,29,38)(H,30,36)(H,32,33)/t12-,13-,15-,16-,18?,19-,20-/m0/s1
InChI key: VZLDCDNNIHDYPN-PQCPWOACSA-N
SMILES: CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC1=O)C(C(=O)[C@H](C)N)c1ccccc1
Systematic name  (3):
  • シクロ(L-Ser-β-Ala-L-Phe-L-Ile-L-Asp-)
  • 2-[(2S,5S,8S,11S)-8-[(3S)-3-アミノ-2-オキソ-1-フェニルブチル]-11-[(2S)-ブタン-2-イル]-5-(ヒドロキシメチル)-3,6,9,12-テトラオキソ-1,4,7,10-テトラアザシクロドデカン-2-イル]酢酸
  • 2-[(2S,5S,8S,11S)-8-[(3S)-3-amino-2-oxo-1-phenylbutyl]-11-[(2S)-butan-2-yl]-5-(hydroxymethyl)-3,6,9,12-tetraoxo-1,4,7,10-tetraazacyclododecan-2-yl]acetic acid
Other name (1):
  • Cyclo(L-Ser-β-Ala-L-Phe-L-Ile-L-Asp-)
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