Chem
J-GLOBAL ID:200907081953793113
Nikkaji number:J2.618.701J
N-(3-Aminopropyl)-1-methyl-4-[1-methyl-4-[1-methyl-4-(1-methyl-2-pyrrolylcarbonylamino)-2-pyrrolylcarbonylamino]-2-pyrrolylcarbonylamino]-1H-pyrrole-2-carboxamide
N-(3-アミノプロピル)-1-メチル-4-[1-メチル-4-[1-メチル-4-(1-メチル-2-ピロリルカルボニルアミノ)-2-ピロリルカルボニルアミノ]-2-ピロリルカルボニルアミノ]-1H-ピロール-2-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:
C27 H33 N9 O4
Molecular formula furigana:
C27-H33-N9-O4
Molecular weight:
547.620
InChI:
InChI=1S/C27H33N9O4/c1-33-10-5-7-20(33)25(38)30-18-12-22(35(3)15-18)27(40)32-19-13-23(36(4)16-19)26(39)31-17-11-21(34(2)14-17)24(37)29-9-6-8-28/h5,7,10-16H,6,8-9,28H2,1-4H3,(H,29,37)(H,30,38)(H,31,39)(H,32,40)
InChI key:
GFOCKWZNVJNPAW-UHFFFAOYSA-N
SMILES:
Cn1cccc1C(=O)Nc1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)NCCCN)n(C)c3)n(C)c2)n(C)c1
Systematic name (3):
N-(3-アミノプロピル)-1-メチル-4-[1-メチル-4-[1-メチル-4-(1-メチル-2-ピロリルカルボニルアミノ)-2-ピロリルカルボニルアミノ]-2-ピロリルカルボニルアミノ]-1H-ピロール-2-カルボアミド
N-[5-({5-[(3-アミノプロピル)カルバモイル]-1-メチル-1H-ピロール-3-イル}カルバモイル)-1-メチル-1H-ピロール-3-イル]-1-メチル-4-(1-メチル-1H-ピロール-2-アミド)-1H-ピロール-2-カルボキサミド
N-[5-({5-[(3-aminopropyl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}carbamoyl)-1-methyl-1H-pyrrol-3-yl]-1-methyl-4-(1-methyl-1H-pyrrole-2-amido)-1H-pyrrole-2-carboxamide
Other name (1):
N-(3-Aminopropyl)-1-methyl-4-[1-methyl-4-[1-methyl-4-(1-methyl-2-pyrrolylcarbonylamino)-2-pyrrolylcarbonylamino]-2-pyrrolylcarbonylamino]-1H-pyrrole-2-carboxamide
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