Chem
J-GLOBAL ID：200907041734204623   Nikkaji number：J325.809B

(S)-4-(3,4-Dichlorobenzoylamino)-5-[(3-methoxypropyl)pentylamino]-5-oxopentanoic acid

(S)-4-(3,4-ジクロロベンゾイルアミノ)-5-[(3-メトキシプロピル)ペンチルアミノ]-5-オキソペンタン酸
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： C21H30Cl2N2O5
Molecular formula furigana： C21-H30-CL2-N2-O5
Molecular weight： 461.380
InChI： InChI=1S/C21H30Cl2N2O5/c1-3-4-5-11-25(12-6-13-30-2)21(29)18(9-10-19(26)27)24-20(28)15-7-8-16(22)17(23)14-15/h7-8,14,18H,3-6,9-13H2,1-2H3,(H,24,28)(H,26,27)/t18-/m0/s1
InChI key： QNQZBKQEIFTHFZ-SFHVURJKSA-N
SMILES： CCCCCN(CCCOC)C(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(Cl)c(Cl)c1
Systematic name  (3)：
  • (S)-4-(3,4-ジクロロベンゾイルアミノ)-5-[(3-メトキシプロピル)ペンチルアミノ]-5-オキソペンタン酸
  • (4S)-4-[(3,4-ジクロロフェニル)ホルムアミド]-4-[(3-メトキシプロピル)(ペンチル)カルバモイル]ブタン酸
  • (4S)-4-[(3,4-dichlorophenyl)formamido]-4-[(3-methoxypropyl)(pentyl)carbamoyl]butanoic acid
Other name (1)：
  • (S)-4-(3,4-Dichlorobenzoylamino)-5-[(3-methoxypropyl)pentylamino]-5-oxopentanoic acid
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