Chem
J-GLOBAL ID：201307039723793692   Nikkaji number：J3.148.769B

FR-900359

(1R,4S,7R,8S,11R,17S,20S)-1-[(1S)-1-[[(2S,3R)-3-ヒドロキシ-2-(プロパノイルアミノ)-4-メチルペンタノイル]オキシ]イソブチル]-8-(アセチルアミノ)-11-ベンジル-7-イソプロピル-4-[(S)-1-メトキシエチル]-3,13,17,19,20-ペンタメチル-14-メチレン-3,13,16,19,22-ペンタアザ-6,10-ジオキサシクロドコサン-2,5,9,12,15,18,21-ヘプタオン
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： C49H75N7O15
Molecular formula furigana： C49-H75-N7-O15
Molecular weight： 1002.173
InChI： InChI=1S/C49H75N7O15/c1-17-34(58)52-35(39(59)24(2)3)47(65)70-40(25(4)5)36-46(64)56(15)38(30(11)68-16)49(67)71-41(26(6)7)37(51-31(12)57)48(66)69-33(23-32-21-19-18-20-22-32)45(63)55(14)28(9)42(60)50-27(8)44(62)54(13)29(10)43(61)53-36/h18-22,24-27,29-30,33,35-41,59H,9,17,23H2,1-8,10-16H3,(H,50,60)(H,51,57)(H,52,58)(H,53,61)/t27-,29-,30-,33+,35-,36+,37?,38?,39+,40-,41+/m0/s1
InChI key： IMXKHFILKMPFGB-RRNMCHGOSA-N
SMILES： CCC(=O)N[C@@H]([C@H](O)C(C)C)C(=O)O[C@@H](C(C)C)[C@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H](C)NC(=O)C(=C)N(C)C(=O)[C@@H](Cc2ccccc2)OC(=O)C(NC(=O)C)[C@H](OC(=O)C([C@H](C)OC)N(C)C1=O)C(C)C
Systematic name  (3)：
  • (1R,4S,7R,8S,11R,17S,20S)-1-[(1S)-1-[[(2S,3R)-3-ヒドロキシ-2-(プロパノイルアミノ)-4-メチルペンタノイル]オキシ]イソブチル]-8-(アセチルアミノ)-11-ベンジル-7-イソプロピル-4-[(S)-1-メトキシエチル]-3,13,17,19,20-ペンタメチル-14-メチレン-3,13,16,19,22-ペンタアザ-6,10-ジオキサシクロドコサン-2,5,9,12,15,18,21-ヘプタオン
  • (1S)-1-[(3S,6R,9S,12S,18R,21S,22R)-18-ベンジル-21-アセトアミド-3-[(1S)-1-メトキシエチル]-4,9,10,12,16-ペンタメチル-15-メチリデン-2,5,8,11,14,17,20-ヘプタオキソ-22-(プロパン-2-イル)-1,19-ジオキサ-4,7,10,13,16-ペンタアザシクロドコサン-6-イル]-2-メチルプロピル (2S,3R)-3-ヒドロキシ-4-メチル-2-プロパンアミドペンタノアート
  • (1S)-1-[(3S,6R,9S,12S,18R,21S,22R)-18-benzyl-21-acetamido-3-[(1S)-1-methoxyethyl]-4,9,10,12,16-pentamethyl-15-methylidene-2,5,8,11,14,17,20-heptaoxo-22-(propan-2-yl)-1,19-dioxa-4,7,10,13,16-pentaazacyclodocosan-6-yl]-2-methylpropyl (2S,3R)-3-hydroxy-4-methyl-2-propanamidopentanoate
Other name (2)：
  • (1R,4S,7R,8S,11R,17S,20S)-1-[(1S)-1-[[(2S,3R)-3-Hydroxy-2-(propanoylamino)-4-methylpentanoyl]oxy]isobutyl]-8-(acetylamino)-11-benzyl-7-isopropyl-4-[(S)-1-methoxyethyl]-3,13,17,19,20-pentamethyl-14-methylene-3,13,16,19,22-pentaaza-6,10-dioxacyclodocosane-2,5,9,12,15,18,21-heptaone
  • FR-900359
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