Chem
J-GLOBAL ID：200907010383911848   Nikkaji number：J2.147.553J

N-Methyl-S-[(acetylamino)methyl]-L-Cys-N-methyl-S-[(acetylamino)methyl]-L-Cys-[(S)-1-benzyl-2-acetoxyethyl]NH2

N-メチル-S-[(アセチルアミノ)メチル]-L-Cys-N-メチル-S-[(アセチルアミノ)メチル]-L-Cys-[(S)-1-ベンジル-2-アセトキシエチル]NH2
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： C25H39N5O6S2
Molecular formula furigana： C25-H39-N5-O6-S2
Molecular weight： 569.740
InChI： InChI=1S/C25H39N5O6S2/c1-17(31)27-15-37-13-22(26-4)25(35)30(5)23(14-38-16-28-18(2)32)24(34)29-21(12-36-19(3)33)11-20-9-7-6-8-10-20/h6-10,21-23,26H,11-16H2,1-5H3,(H,27,31)(H,28,32)(H,29,34)/t21-,22-,23-/m0/s1
InChI key： BUPBCGSSQOTLIY-VABKMULXSA-N
SMILES： CN[C@@H](CSCNC(=O)C)C(=O)N(C)[C@@H](CSCNC(=O)C)C(=O)N[C@H](COC(=O)C)Cc1ccccc1
Systematic name  (3)：
  • N-メチル-S-[(アセチルアミノ)メチル]-L-Cys-N-メチル-S-[(アセチルアミノ)メチル]-L-Cys-[(S)-1-ベンジル-2-アセトキシエチル]NH2
  • (2S)-2-[(2R)-3-[(アセトアミドメチル)スルファニル]-2-[(2R)-3-[(アセトアミドメチル)スルファニル]-N-メチル-2-(メチルアミノ)プロパンアミド]プロパンアミド]-3-フェニルプロピル アセタート
  • (2S)-2-[(2R)-3-[(acetamidomethyl)sulfanyl]-2-[(2R)-3-[(acetamidomethyl)sulfanyl]-N-methyl-2-(methylamino)propanamido]propanamido]-3-phenylpropyl acetate
Other name (1)：
  • N-Methyl-S-[(acetylamino)methyl]-L-Cys-N-methyl-S-[(acetylamino)methyl]-L-Cys-[(S)-1-benzyl-2-acetoxyethyl]NH2
Thsaurus map：
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