Chem
J-GLOBAL ID:200907019745076303
Nikkaji number:J238.554F
N-(4-Guanidinobutyl)-5-[(E)-3-[(4-guanidinobutyl)amino]-3-oxo-1-propenyl]-2,3-dihydro-2α-(4-hydroxyphenyl)-3α-benzofurancarboxamide
N-(4-グアニジノブチル)-5-[(E)-3-[(4-グアニジノブチル)アミノ]-3-オキソ-1-プロペニル]-2,3-ジヒドロ-2α-(4-ヒドロキシフェニル)-3α-ベンゾフランカルボアミド
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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:
C28 H38 N8 O4
Molecular formula furigana:
C28-H38-N8-O4
Molecular weight:
550.664
InChI:
InChI=1S/C28H38N8O4/c29-27(30)35-15-3-1-13-33-23(38)12-6-18-5-11-22-21(17-18)24(25(40-22)19-7-9-20(37)10-8-19)26(39)34-14-2-4-16-36-28(31)32/h5-12,17,24-25,37H,1-4,13-16H2,(H,33,38)(H,34,39)(H4,29,30,35)(H4,31,32,36)/b12-6+/t24-,25-/m1/s1
InChI key:
KVYNYRIOAYQBFK-JOEBSVEZSA-N
SMILES:
NC(=N)NCCCCNC(=O)/C=C/c1ccc2O[C@@H]([C@H](C(=O)NCCCCNC(=N)N)c2c1)c1ccc(O)cc1
Systematic name (3):
N-(4-グアニジノブチル)-5-[(E)-3-[(4-グアニジノブチル)アミノ]-3-オキソ-1-プロペニル]-2,3-ジヒドロ-2α-(4-ヒドロキシフェニル)-3α-ベンゾフランカルボアミド
(2S,3R)-N-(4-カルバムイミドアミドブチル)-5-[(1E)-2-[(4-カルバムイミドアミドブチル)カルバモイル]エタ-1-エン-1-イル]-2-(4-ヒドロキシフェニル)-2,3-ジヒドロ-1-ベンゾフラン-3-カルボキサミド
(2S,3R)-N-(4-carbamimidamidobutyl)-5-[(1E)-2-[(4-carbamimidamidobutyl)carbamoyl]eth-1-en-1-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide
Other name (1):
N-(4-Guanidinobutyl)-5-[(E)-3-[(4-guanidinobutyl)amino]-3-oxo-1-propenyl]-2,3-dihydro-2α-(4-hydroxyphenyl)-3α-benzofurancarboxamide
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