Chem
J-GLOBAL ID:200907028146780743
Nikkaji number:J609.011G
DuP-714
DuP-714
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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 H33 BN6 O5
Molecular formula furigana:
C21-H33-B-N6-O5
Molecular weight:
460.340
InChI:
InChI=1S/C21H33BN6O5/c1-14(29)26-16(13-15-7-3-2-4-8-15)20(31)28-12-6-9-17(28)19(30)27-18(22(32)33)10-5-11-25-21(23)24/h2-4,7-8,16-18,32-33H,5-6,9-13H2,1H3,(H,26,29)(H,27,30)(H4,23,24,25)/t16-,17+,18-/m1/s1
InChI key:
FXFYPTZERULUBS-FGTMMUONSA-N
SMILES:
CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(=N)N)B(O)O
Systematic name (3):
Ac-D-Phe-L-Pro-[(1S)-1-(ジヒドロキシボリル)-4-(アミジノアミノ)ブチル]NH2
[(1S)-4-カルバムイミドアミド-1-{[(2S)-1-[(2R)-2-アセトアミド-3-フェニルプロパノイル]ピロリジン-2-イル]ホルムアミド}ブチル]ボロン酸
[(1S)-4-carbamimidamido-1-{[(2S)-1-[(2R)-2-acetamido-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}butyl]boronic acid
Other name (2):
DuP-714
Ac-D-Phe-L-Pro-[(1S)-1-(Dihydroxyboryl)-4-(amidinoamino)butyl]NH2
CAS registry number:
130982-43-3
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