Chem
J-GLOBAL ID：200907079536512026
Nikkaji number：J1.315.210A
(2R,4R,5S,7R,9R,10S,12R,14R,15S,17R,19R,20S,22R,24R,25S,27R,29R,30S,32R,34R,35S,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-4-[[(R)-2-[2-[5-(Dimethylamino)-1-naphthylsulfonylamino]ethylamino]-3-phenylpropionyl]aminomethyl]-9,14,19,24,29,34-hexakis(hydroxymethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-2,5:7,10:12,15:17,20:22,25:27,30:32,35-heptaethano-1,3,6,8,11,13,16,18,21,23,26,28,31,33-tetradecaoxacyclopentatriacontane
(2R,4R,5S,7R,9R,10S,12R,14R,15S,17R,19R,20S,22R,24R,25S,27R,29R,30S,32R,34R,35S,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-4-[[(R)-2-[2-[5-(ジメチルアミノ)-1-ナフチルスルホニルアミノ]エチルアミノ]-3-フェニルプロピオニル]アミノメチル]-9,14,19,24,29,34-ヘキサキス(ヒドロキシメチル)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-テトラデカヒドロキシ-2,5:7,10:12,15:17,20:22,25:27,30:32,35-ヘプタエタノ-1,3,6,8,11,13,16,18,21,23,26,28,31,33-テトラデカオキサシクロペンタトリアコンタン
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
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
Molecular formula： C65H96N4O37S
Molecular formula furigana： C65-H96-N4-O37-S
Molecular weight： 1557.530
InChI：
InChI=1S/C65H96N4O37S/c1-69(2)28-12-6-11-26-25(28)10-7-13-36(26)107(91,92)68-15-14-66-27(16-24-8-4-3-5-9-24)58(90)67-17-29-51-37(76)44(83)59(93-29)101-52-30(18-70)95-61(46(85)39(52)78)103-54-32(20-72)97-63(48(87)41(54)80)105-56-34(22-74)99-65(50(89)43(56)82)106-57-35(23-75)98-64(49(88)42(57)81)104-55-33(21-73)96-62(47(86)40(55)79)102-53-31(19-71)94-60(100-51)45(84)38(53)77/h3-13,27,29-35,37-57,59-66,68,70-89H,14-23H2,1-2H3,(H,67,90)
InChI key：
OISIXJUFJOQVDC-UHFFFAOYSA-N
SMILES：
CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCNC(Cc1ccccc1)C(=O)NCC1OC2OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(OC6C(CO)OC(OC7C(CO)OC(OC8C(CO)OC(OC1C(O)C2O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O
Systematic name (1)：
- (2R,4R,5S,7R,9R,10S,12R,14R,15S,17R,19R,20S,22R,24R,25S,27R,29R,30S,32R,34R,35S,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-4-[[(R)-2-[2-[5-(ジメチルアミノ)-1-ナフチルスルホニルアミノ]エチルアミノ]-3-フェニルプロピオニル]アミノメチル]-9,14,19,24,29,34-ヘキサキス(ヒドロキシメチル)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-テトラデカヒドロキシ-2,5:7,10:12,15:17,20:22,25:27,30:32,35-ヘプタエタノ-1,3,6,8,11,13,16,18,21,23,26,28,31,33-テトラデカオキサシクロペンタトリアコンタン
- (2R,4R,5S,7R,9R,10S,12R,14R,15S,17R,19R,20S,22R,24R,25S,27R,29R,30S,32R,34R,35S,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-4-[[(R)-2-[2-[5-(Dimethylamino)-1-naphthylsulfonylamino]ethylamino]-3-phenylpropionyl]aminomethyl]-9,14,19,24,29,34-hexakis(hydroxymethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-2,5:7,10:12,15:17,20:22,25:27,30:32,35-heptaethano-1,3,6,8,11,13,16,18,21,23,26,28,31,33-tetradecaoxacyclopentatriacontane
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