Chem
J-GLOBAL ID:201507096394982932
Nikkaji number:J3.365.221F
N-[(S)-1-[4-(3-Amino-1H-indazole-6-yl)-5-chloro-1H-imidazole-2-yl]-2-phenylethyl]-4α-(aminomethyl)cyclohexane-1β-carboxamide
N-[(S)-1-[4-(3-アミノ-1H-インダゾール-6-イル)-5-クロロ-1H-イミダゾール-2-イル]-2-フェニルエチル]-4α-(アミノメチル)シクロヘキサン-1β-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:
C26 H30 ClN7 O
Molecular formula furigana:
C26-H30-CL-N7-O
Molecular weight:
492.020
InChI:
InChI=1S/C26H30ClN7O/c27-23-22(18-10-11-19-20(13-18)33-34-24(19)29)31-25(32-23)21(12-15-4-2-1-3-5-15)30-26(35)17-8-6-16(14-28)7-9-17/h1-5,10-11,13,16-17,21H,6-9,12,14,28H2,(H,30,35)(H,31,32)(H3,29,33,34)/t16-,17-,21-/m0/s1
InChI key:
IOLSRAXZCKDSPO-FIKGOQFSSA-N
SMILES:
NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1nc(c(Cl)[nH]1)c1ccc2c(N)n[nH]c2c1
Systematic name (3):
N-[(S)-1-[4-(3-アミノ-1H-インダゾール-6-イル)-5-クロロ-1H-イミダゾール-2-イル]-2-フェニルエチル]-4α-(アミノメチル)シクロヘキサン-1β-カルボアミド
(1r,4r)-N-[(1S)-1-[4-(3-アミノ-1H-インダゾール-6-イル)-5-クロロ-1H-イミダゾール-2-イル]-2-フェニルエチル]-4-(アミノメチル)シクロヘキサン-1-カルボキサミド
(1r,4r)-N-[(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl]-4-(aminomethyl)cyclohexane-1-carboxamide
Other name (1):
N-[(S)-1-[4-(3-Amino-1H-indazole-6-yl)-5-chloro-1H-imidazole-2-yl]-2-phenylethyl]-4α-(aminomethyl)cyclohexane-1β-carboxamide
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