Chem
J-GLOBAL ID:200907058551022828
Nikkaji number:J943.425I
SB-236636
(S)-α-エトキシ-3-ヨード-4-[2-[メチル(ベンゾオキサゾール-2-イル)アミノ]エトキシ]ベンゼンプロパン酸
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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:
C21 H23 IN2 O5
Molecular formula furigana:
C21-H23-I-N2-O5
Molecular weight:
510.328
InChI:
InChI=1S/C21H23IN2O5/c1-3-27-19(20(25)26)13-14-8-9-17(15(22)12-14)28-11-10-24(2)21-23-16-6-4-5-7-18(16)29-21/h4-9,12,19H,3,10-11,13H2,1-2H3,(H,25,26)/t19-/m0/s1
InChI key:
VMBRNDMISRCGGM-IBGZPJMESA-N
SMILES:
CCO[C@@H](Cc1ccc(OCCN(C)c2nc3ccccc3o2)c(I)c1)C(=O)O
Systematic name (3):
(S)-α-エトキシ-3-ヨード-4-[2-[メチル(ベンゾオキサゾール-2-イル)アミノ]エトキシ]ベンゼンプロパン酸
(2S)-3-(4-{2-[(1,3-ベンゾオキサゾール-2-イル)(メチル)アミノ]エトキシ}-3-ヨードフェニル)-2-エトキシプロパン酸
(2S)-3-(4-{2-[(1,3-benzoxazol-2-yl)(methyl)amino]ethoxy}-3-iodophenyl)-2-ethoxypropanoic acid
Other name (2):
SB-236636
(S)-α-Ethoxy-3-iodo-4-[2-[methyl(benzoxazol-2-yl)amino]ethoxy]benzenepropanoic acid
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