Chem
J-GLOBAL ID：200907047754205152   Nikkaji number：J713.999C

[(S)-2,3-Difluoro-α-methyl-α-[(7-ureidoheptyl)carbamoyl]phenethyl]carbamic acid (S)-α-isopropylbenzyl ester

[(S)-2,3-ジフルオロ-α-メチル-α-[(7-ウレイドヘプチル)カルバモイル]フェネチル]カルバミド酸(S)-α-イソプロピルベンジル
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： C29H40F2N4O4
Molecular formula furigana： C29-H40-F2-N4-O4
Molecular weight： 546.660
InChI： InChI=1S/C29H40F2N4O4/c1-20(2)25(21-13-8-7-9-14-21)39-28(38)35-29(3,19-22-15-12-16-23(30)24(22)31)26(36)33-17-10-5-4-6-11-18-34-27(32)37/h7-9,12-16,20,25H,4-6,10-11,17-19H2,1-3H3,(H,33,36)(H,35,38)(H3,32,34,37)/t25-,29-/m0/s1
InChI key： IWEYVTFOHKCWJN-SVEHJYQDSA-N
SMILES： CC(C)[C@H](OC(=O)N[C@@](C)(Cc1cccc(F)c1F)C(=O)NCCCCCCCNC(=O)N)c1ccccc1
Systematic name  (3)：
  • [(S)-2,3-ジフルオロ-α-メチル-α-[(7-ウレイドヘプチル)カルバモイル]フェネチル]カルバミド酸(S)-α-イソプロピルベンジル
  • (1S)-2-メチル-1-フェニルプロピル N-[(1S)-1-{[7-(カルバモイルアミノ)ヘプチル]カルバモイル}-1-[(2,3-ジフルオロフェニル)メチル]エチル]カルバマート
  • (1S)-2-methyl-1-phenylpropyl N-[(1S)-1-{[7-(carbamoylamino)heptyl]carbamoyl}-1-[(2,3-difluorophenyl)methyl]ethyl]carbamate
Other name (1)：
  • [(S)-2,3-Difluoro-α-methyl-α-[(7-ureidoheptyl)carbamoyl]phenethyl]carbamic acid (S)-α-isopropylbenzyl ester
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM