Chem
J-GLOBAL ID：201707005109808878   Nikkaji number：J3.574.837G

(3R,6R,9S,19S,E)-6-[4-(Allyloxy)-3-bromobenzyl]-3-[(R)-hydroxy(phenyl)methyl]-7,9,16,19-tetramethyl-1-oxa-4,7,10-triazacyclononadeca-15-ene-2,5,8,11-tetraone

(3R,6R,9S,19S,E)-6-[4-(アリルオキシ)-3-ブロモベンジル]-3-[(R)-ヒドロキシ(フェニル)メチル]-7,9,16,19-テトラメチル-1-オキサ-4,7,10-トリアザシクロノナデカ-15-エン-2,5,8,11-テトラオン
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： C36H46BrN3O7
Molecular formula furigana： C36-H46-BR-N3-O7
Molecular weight： 712.682
InChI： InChI=1S/C36H46BrN3O7/c1-6-20-46-30-19-18-26(21-28(30)37)22-29-34(43)39-32(33(42)27-13-8-7-9-14-27)36(45)47-24(3)17-16-23(2)12-10-11-15-31(41)38-25(4)35(44)40(29)5/h6-9,12-14,18-19,21,24-25,29,32-33,42H,1,10-11,15-17,20,22H2,2-5H3,(H,38,41)(H,39,43)/b23-12+/t24-,25-,29+,32?,33+/m0/s1
InChI key： BJJXQLYNMKLEEP-ZLNOPBOXSA-N
SMILES： C[C@H]1CC/C(=C/CCCC(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2ccc(OCC=C)c(Br)c2)C(=O)NC([C@H](O)c2ccccc2)C(=O)O1)/C
Systematic name  (3)：
  • (3R,6R,9S,19S,E)-6-[4-(アリルオキシ)-3-ブロモベンジル]-3-[(R)-ヒドロキシ(フェニル)メチル]-7,9,16,19-テトラメチル-1-オキサ-4,7,10-トリアザシクロノナデカ-15-エン-2,5,8,11-テトラオン
  • (3R,6R,9S,15E,19S)-6-{[3-ブロモ-4-(プロパ-2-エン-1-イルオキシ)フェニル]メチル}-3-[(R)-ヒドロキシ(フェニル)メチル]-7,9,16,19-テトラメチル-1-オキサ-4,7,10-トリアザシクロノナデカ-15-エン-2,5,8,11-テトラオン
  • (3R,6R,9S,15E,19S)-6-{[3-bromo-4-(prop-2-en-1-yloxy)phenyl]methyl}-3-[(R)-hydroxy(phenyl)methyl]-7,9,16,19-tetramethyl-1-oxa-4,7,10-triazacyclononadec-15-ene-2,5,8,11-tetrone
Other name (1)：
  • (3R,6R,9S,19S,E)-6-[4-(Allyloxy)-3-bromobenzyl]-3-[(R)-hydroxy(phenyl)methyl]-7,9,16,19-tetramethyl-1-oxa-4,7,10-triazacyclononadeca-15-ene-2,5,8,11-tetraone
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