Chem
J-GLOBAL ID:200907021542193465
Nikkaji number:J342.505C
Complestatin
コンプレスタチン
Download MOL file
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:
C61 H45 Cl6 N7 O15
Molecular formula furigana:
C61-H45-CL6-N7-O15
Molecular weight:
1328.770
InChI:
InChI=1S/C61H45Cl6N7O15/c1-74-44(56(82)73-49(61(87)88)25-4-7-32(75)8-5-25)12-24-2-9-33(10-3-24)89-45-22-27-13-35(51(45)77)26-6-11-34-31(23-68-42(34)20-26)21-43(69-59(85)50(76)30-18-40(66)54(80)41(67)19-30)55(81)70-47(28-14-36(62)52(78)37(63)15-28)57(83)71-46(27)58(84)72-48(60(74)86)29-16-38(64)53(79)39(65)17-29/h2-11,13-20,22-23,43-44,46-49,68,75,77-80H,12,21H2,1H3,(H,69,85)(H,70,81)(H,71,83)(H,72,84)(H,73,82)(H,87,88)
InChI key:
JJGZGELTZPACID-UHFFFAOYSA-N
SMILES:
CN1C(Cc2ccc(Oc3cc4cc(c3O)c3ccc5c(CC(NC(=O)C(=O)c6cc(Cl)c(O)c(Cl)c6)C(=O)NC(c6cc(Cl)c(O)c(Cl)c6)C(=O)NC4C(=O)NC(c4cc(Cl)c(O)c(Cl)c4)C1=O)c[nH]c5c3)cc2)C(=O)NC(C(=O)O)c1ccc(O)cc1
Systematic name (3):
α-[[[[8,13-ビス(3,5-ジクロロ-4-ヒドロキシフェニル)-5-[[(3,5-ジクロロ-4-ヒドロキシフェニル)オキソアセチル]アミノ]-2,4,5,6,7,8,9,10,10a,11,12,13,14,15,16,17-ヘキサデカヒドロ-31-ヒドロキシ-15-メチル-6,9,11,14-テトラオキソ-18,21-エテノ-1,27:23,26-ジメテノピロロ[3′,4′:12,13][1,4]ジアザシクロヘキサデシノ[6,5-d][1,7,10]オキサジアザシクロヘキサデシン]-16-イル]カルボニル]アミノ]-4-ヒドロキシベンゼン酢酸
2-{[20,26-ビス(3,5-ジクロロ-4-ヒドロキシフェニル)-17-[2-(3,5-ジクロロ-4-ヒドロキシフェニル)-2-オキソアセトアミド]-37-ヒドロキシ-28-メチル-18,21,24,27-テトラオキソ-2-オキサ-13,19,22,25,28-ペンタアザヘキサシクロ[29.2.2.13,7 .18,12 .05,23 .011,15 ]ヘプタトリアコンタ-1(33),3,5,7(37),8,10,12(36),14,31,34-デカエン-29-イル]ホルムアミド}-2-(4-ヒドロキシフェニル)酢酸
2-{[20,26-bis(3,5-dichloro-4-hydroxyphenyl)-17-[2-(3,5-dichloro-4-hydroxyphenyl)-2-oxoacetamido]-37-hydroxy-28-methyl-18,21,24,27-tetraoxo-2-oxa-13,19,22,25,28-pentaazahexacyclo[29.2.2.13,7 .18,12 .05,23 .011,15 ]heptatriaconta-1(33),3,5,7(37),8,10,12(36),14,31,34-decaen-29-yl]formamido}-2-(4-hydroxyphenyl)acetic acid
Other name (7):
コンプレスタチン
Complestatin
α-[[[[8,13-Bis(3,5-dichloro-4-hydroxyphenyl)-5-[[(3,5-dichloro-4-hydroxyphenyl)oxoacetyl]amino]-2,4,5,6,7,8,9,10,10a,11,12,13,14,15,16,17-hexadecahydro-31-hydroxy-15-methyl-6,9,11,14-tetraoxo-18,21-etheno-1,27:23,26-dimethenopyrrolo[3′,4′:12,13][1,4]diazacyclohexadecino[6,5-d][1,7,10]oxadiazacyclohexadecin]-16-yl]carbonyl]amino]-4-hydroxybenzeneacetic acid
クロロペプチンII
Chloropeptin II
Sch-79235
WK-3419A
Show all
CAS registry number:
69598-75-0
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