Chem
J-GLOBAL ID:201007094313076798
Nikkaji number:J2.816.541B
N-[3-Amino(2,2,3,3-2 H4 )propanoyl]-3-[(2,4-2 H2 )-1H-imidazole-5-yl]-(2-2 H)-L-alanine
N-[3-アミノ(2,2,3,3-2 H4 )プロパノイル]-3-[(2,4-2 H2 )-1H-イミダゾール-5-イル]-(2-2 H)-L-アラニン
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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:
C9 H7 [2 H]7 N4 O3
Molecular formula furigana:
C9-H14-N4-O3
Molecular weight:
233.279
InChI:
InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1/i1D2,2D2,4D,5D,7D
InChI key:
CQOVPNPJLQNMDC-YXTNUXIFSA-N
SMILES:
c1([2H])nc([2H])c(C[C@]([2H])(NC(=O)C([2H])([2H])C([2H])([2H])N)C(=O)O)[nH]1
Systematic name (3):
N-[3-アミノ(2,2,3,3-2 H4 )プロパノイル]-3-[(2,4-2 H2 )-1H-イミダゾール-5-イル]-(2-2 H)-L-アラニン
(2S)-2-[3-アミノ(2,2,3,3-2 H4 )プロパンアミド]-3-[(2,4-2 H2 )-1H-イミダゾール-5-イル](2-2 H)プロパン酸
(2S)-2-[3-amino(2,2,3,3-2 H4 )propanamido]-3-[(2,4-2 H2 )-1H-imidazol-5-yl](2-2 H)propanoic acid
Other name (1):
N-[3-Amino(2,2,3,3-2 H4 )propanoyl]-3-[(2,4-2 H2 )-1H-imidazole-5-yl]-(2-2 H)-L-alanine
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