Chem
J-GLOBAL ID:200907093113153103
Nikkaji number:J2.431.824I
3-[1-[[2-Hydroxy-3-[hydroxy[5-[[3-(4-hydroxy-3-iodophenyl)-1-oxopropyl]amino]pentyl]phosphinyl]propyl]amino]ethyl]benzoic acid
3-[1-({2-ヒドロキシ-3-[ヒドロキシ({5-[3-(4-ヒドロキシ-3-ヨードフェニル)プロパンアミド]ペンチル})ホスホリル]プロピル}アミノ)エチル]安息香酸
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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:
C26 H36 IN2 O7 P
Molecular formula furigana:
C26-H36-I-N2-O7-P
Molecular weight:
646.459
InChI:
InChI=1S/C26H36IN2O7P/c1-18(20-6-5-7-21(15-20)26(33)34)29-16-22(30)17-37(35,36)13-4-2-3-12-28-25(32)11-9-19-8-10-24(31)23(27)14-19/h5-8,10,14-15,18,22,29-31H,2-4,9,11-13,16-17H2,1H3,(H,28,32)(H,33,34)(H,35,36)
InChI key:
RLYLJDJFHZHCTR-UHFFFAOYSA-N
SMILES:
CC(NCC(O)CP(=O)(O)CCCCCNC(=O)CCc1ccc(O)c(I)c1)c1cccc(c1)C(=O)O
Systematic name (3):
3-[1-[[2-ヒドロキシ-3-[ヒドロキシ[5-[[3-(4-ヒドロキシ-3-ヨードフェニル)-1-オキソプロピル]アミノ]ペンチル]ホスフィニル]プロピル]アミノ]エチル]安息香酸
3-[1-({2-ヒドロキシ-3-[ヒドロキシ({5-[3-(4-ヒドロキシ-3-ヨードフェニル)プロパンアミド]ペンチル})ホスホリル]プロピル}アミノ)エチル]安息香酸
3-[1-({2-hydroxy-3-[hydroxy({5-[3-(4-hydroxy-3-iodophenyl)propanamido]pentyl})phosphoryl]propyl}amino)ethyl]benzoic acid
Other name (1):
3-[1-[[2-Hydroxy-3-[hydroxy[5-[[3-(4-hydroxy-3-iodophenyl)-1-oxopropyl]amino]pentyl]phosphinyl]propyl]amino]ethyl]benzoic acid
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