Chem
J-GLOBAL ID:200907085709362246   Nikkaji number:J2.028.304A

(4S)-4β-Benzyl-20-chloro-2,19-methano-13,14-[1,3]butadieno-1,3,6,10,16,19-hexaazacyclohenicosane-1,13,20-triene-17,22-dione

(20S)-20-ベンジル-25-クロロ-1,4,14,18,21,23-ヘキサアザトリシクロ[20.3.1.06,11]ヘキサコサ-6,8,10,22,24-ペンタエン-3,26-ジオン
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: C27H33ClN6O2
Molecular formula furigana: C27-H33-CL-N6-O2
Molecular weight: 509.050
InChI: InChI=1S/C27H33ClN6O2/c28-24-18-32-26-27(36)34(24)19-25(35)31-16-22-10-5-4-9-21(22)11-14-29-12-6-13-30-17-23(33-26)15-20-7-2-1-3-8-20/h1-5,7-10,18,23,29-30H,6,11-17,19H2,(H,31,35)(H,32,33)
InChI key: LYVSCNRRXJZCRV-UHFFFAOYSA-N
SMILES: Clc1cnc2NC(Cc3ccccc3)CNCCCNCCc3ccccc3CNC(=O)Cn1c2=O
Systematic name  (3):
  • (4S)-4β-ベンジル-20-クロロ-2,19-メタノ-13,14-[1,3]ブタジエノ-1,3,6,10,16,19-ヘキサアザシクロヘニコサン-1,13,20-トリエン-17,22-ジオン
  • (20S)-20-ベンジル-25-クロロ-1,4,14,18,21,23-ヘキサアザトリシクロ[20.3.1.06,11]ヘキサコサ-6,8,10,22,24-ペンタエン-3,26-ジオン
  • (20S)-20-benzyl-25-chloro-1,4,14,18,21,23-hexaazatricyclo[20.3.1.06,11]hexacosa-6,8,10,22,24-pentaene-3,26-dione
Other name (1):
  • (4S)-4β-Benzyl-20-chloro-2,19-methano-13,14-[1,3]butadieno-1,3,6,10,16,19-hexaazacyclohenicosane-1,13,20-triene-17,22-dione
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