Chem
J-GLOBAL ID:200907077468506893
Nikkaji number:J627.488I
Inogatran
イノガトラン
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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 H38 N6 O4
Molecular formula furigana:
C21-H38-N6-O4
Molecular weight:
438.573
InChI:
InChI=1S/C21H38N6O4/c22-21(23)25-11-6-10-24-19(30)17-9-4-5-12-27(17)20(31)16(26-14-18(28)29)13-15-7-2-1-3-8-15/h15-17,26H,1-14H2,(H,24,30)(H,28,29)(H4,22,23,25)/t16-,17+/m1/s1
InChI key:
CDPROXZBMHOBTQ-SJORKVTESA-N
SMILES:
NC(=N)NCCCNC(=O)[C@@H]1CCCCN1C(=O)[C@@H](CC1CCCCC1)NCC(=O)O
Systematic name (5):
(2S)-N-(3-グアニジノプロピル)-1-[(2R)-3-シクロヘキシル-2-[(2-ヒドロキシ-2-オキソエチル)アミノ]-1-オキソプロピル]-2-ピペリジンカルボアミド
N-[(R)-1-(シクロヘキシルメチル)-2-オキソ-2-[(2S)-2-[N-(3-グアニジノプロピル)カルバモイル]ピペリジノ]エチル]グリシン
N-[(1R)-1-[[(2S)-2α-[3-(アミノイミノメチルアミノ)プロピルカルバモイル]-1-ピペリジニル]カルボニル]-2-シクロヘキシルエチル]グリシン
2-{[(2R)-1-[(2S)-2-[(3-カルバムイミドアミドプロピル)カルバモイル]ピペリジン-1-イル]-3-シクロヘキシル-1-オキソプロパン-2-イル]アミノ}酢酸
2-{[(2R)-1-[(2S)-2-[(3-carbamimidamidopropyl)carbamoyl]piperidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]amino}acetic acid
Other name (4):
N-[(R)-1-(Cyclohexylmethyl)-2-oxo-2-[(2S)-2-[N-(3-guanidinopropyl)carbamoyl]piperidino]ethyl]glycine
イノガトラン
Inogatran
N-[(1R)-1-[[(2S)-2α-[3-(Aminoiminomethylamino)propylcarbamoyl]-1-piperidinyl]carbonyl]-2-cyclohexylethyl]glycine
CAS registry number:
155415-08-0
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