Chem
J-GLOBAL ID:200907048194253632   Nikkaji number:J2.473.383A

N-(2,6-Dimethyl-4-isopropoxybenzoyl)-O-[3-(2-pyridylamino)propoxy]tyrosine

N-(2,6-ジメチル-4-イソプロポキシベンゾイル)-O-[3-(2-ピリジルアミノ)プロポキシ]チロシン
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: C29H35N3O6
Molecular formula furigana: C29-H35-N3-O6
Molecular weight: 521.614
InChI: InChI=1S/C29H35N3O6/c1-19(2)37-24-16-20(3)27(21(4)17-24)28(33)32-25(29(34)35)18-22-9-11-23(12-10-22)38-36-15-7-14-31-26-8-5-6-13-30-26/h5-6,8-13,16-17,19,25H,7,14-15,18H2,1-4H3,(H,30,31)(H,32,33)(H,34,35)/t25-/m0/s1
InChI key: OZLVIBKELOGBRA-VWLOTQADSA-N
SMILES: CC(C)Oc1cc(C)c(C(=O)N[C@@H](Cc2ccc(OOCCCNc3ccccn3)cc2)C(=O)O)c(C)c1
Systematic name  (3):
  • N-(2,6-ジメチル-4-イソプロポキシベンゾイル)-O-[3-(2-ピリジルアミノ)プロポキシ]チロシン
  • (2S)-2-{[2,6-ジメチル-4-(プロパン-2-イルオキシ)フェニル]ホルムアミド}-3-[4-({3-[(ピリジン-2-イル)アミノ]プロピル}ペルオキシ)フェニル]プロパン酸
  • (2S)-2-{[2,6-dimethyl-4-(propan-2-yloxy)phenyl]formamido}-3-[4-({3-[(pyridin-2-yl)amino]propyl}peroxy)phenyl]propanoic acid
Other name (1):
  • N-(2,6-Dimethyl-4-isopropoxybenzoyl)-O-[3-(2-pyridylamino)propoxy]tyrosine
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