Chem
J-GLOBAL ID:200907036189272531
Nikkaji number:J307.599K
N-Acetyl-L-cysteine [(2R)-3-[(2-amino-1-oxoethyl)oxy]-2-[(dichloroacetyl)amino]-1-[4-(methylsulfonyl)phenyl]propyl] ester
N-アセチル-L-システイン[(2R)-3-[(2-アミノ-1-オキソエチル)オキシ]-2-[(ジクロロアセチル)アミノ]-1-[4-(メチルスルホニル)フェニル]プロピル]
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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:
C19 H25 Cl2 N3 O8 S2
Molecular formula furigana:
C19-H25-CL2-N3-O8-S2
Molecular weight:
558.440
InChI:
InChI=1S/C19H25Cl2N3O8S2/c1-10(25)23-14(9-33)19(28)32-16(11-3-5-12(6-4-11)34(2,29)30)13(8-31-15(26)7-22)24-18(27)17(20)21/h3-6,13-14,16-17,33H,7-9,22H2,1-2H3,(H,23,25)(H,24,27)/t13-,14+,16?/m1/s1
InChI key:
ZZSBRHRNCULAAG-CNYCQXTOSA-N
SMILES:
CC(=O)N[C@@H](CS)C(=O)OC([C@@H](COC(=O)CN)NC(=O)C(Cl)Cl)c1ccc(cc1)S(=O)(=O)C
Systematic name (3):
N-アセチル-L-システイン[(2R)-3-[(2-アミノ-1-オキソエチル)オキシ]-2-[(ジクロロアセチル)アミノ]-1-[4-(メチルスルホニル)フェニル]プロピル]
(2R)-3-[(2-アミノアセチル)オキシ]-2-(2,2-ジクロロアセトアミド)-1-(4-メタンスルホニルフェニル)プロピル (2R)-2-アセトアミド-3-スルファニルプロパノアート
(2R)-3-[(2-aminoacetyl)oxy]-2-(2,2-dichloroacetamido)-1-(4-methanesulfonylphenyl)propyl (2R)-2-acetamido-3-sulfanylpropanoate
Other name (1):
N-Acetyl-L-cysteine [(2R)-3-[(2-amino-1-oxoethyl)oxy]-2-[(dichloroacetyl)amino]-1-[4-(methylsulfonyl)phenyl]propyl] ester
CAS registry number:
75639-30-4
Regulation number (1):
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