Chem
J-GLOBAL ID:200907048146778901   Nikkaji number:J2.066.982I

PF-1022-268

シクロ[D-Lac-N-メチル-L-Leu-3-フェニル-D-Lac-N-メチル-L-Leu-D-Lac-N-メチル-L-Leu-3-(4-ニトロフェニル)-D-Lac-N-メチル-L-Leu-]
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: C52H75N4[N+]O13[O-]
Molecular formula furigana: C52-H75-N5-O14
Molecular weight: 994.193
InChI: InChI=1S/C52H75N5O14/c1-30(2)24-39-49(62)68-35(10)46(59)54(12)42(27-33(7)8)52(65)71-44(29-37-20-22-38(23-21-37)57(66)67)48(61)56(14)40(25-31(3)4)50(63)69-34(9)45(58)53(11)41(26-32(5)6)51(64)70-43(47(60)55(39)13)28-36-18-16-15-17-19-36/h15-23,30-35,39-44H,24-29H2,1-14H3/t34-,35-,39+,40+,41+,42+,43-,44-/m1/s1
InChI key: PBHXLROYNQIDDL-BWCWQUHXSA-N
SMILES: CC(C)C[C@@H]1N(C)C(=O)[C@@H](Cc2ccccc2)OC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)OC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](Cc2ccc(cc2)[N+](=O)[O-])OC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)OC1=O
Systematic name  (3):
  • シクロ[D-Lac-N-メチル-L-Leu-3-フェニル-D-Lac-N-メチル-L-Leu-D-Lac-N-メチル-L-Leu-3-(4-ニトロフェニル)-D-Lac-N-メチル-L-Leu-]
  • (3S,6R,9S,12R,15S,18R,21S,24R)-6-ベンジル-4,10,12,16,22,24-ヘキサメチル-3,9,15,21-テトラキス(2-メチルプロピル)-18-[(4-ニトロフェニル)メチル]-1,7,13,19-テトラオキサ-4,10,16,22-テトラアザシクロテトラコサン-2,5,8,11,14,17,20,23-オクタオン
  • (3S,6R,9S,12R,15S,18R,21S,24R)-6-benzyl-4,10,12,16,22,24-hexamethyl-3,9,15,21-tetrakis(2-methylpropyl)-18-[(4-nitrophenyl)methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetraazacyclotetracosan-2,5,8,11,14,17,20,23-octone
Other name (2):
  • Cyclo[D-Lac-N-methyl-L-Leu-3-phenyl-D-Lac-N-methyl-L-Leu-D-Lac-N-methyl-L-Leu-3-(4-nitrophenyl)-D-Lac-N-methyl-L-Leu-]
  • PF-1022-268
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