Chem
J-GLOBAL ID:200907058256612060
Nikkaji number:J1.586.829E
SW-163E
5,5′-(2,4-ジチアヘキサン-1,3-ジイル)ビス[2,2-(1-メチルエチレン)-3,6,8-トリメチル-4,7,10-トリオキソ-11-[(3-ヒドロキシキノリン-2-イル)カルボニルアミノ]-12-ヒドロキシ-3,6,9-トリアザドデカン酸]1,12′:1′,12-ジラクトン
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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:
C54 H64 N10 O14 S2
Molecular formula furigana:
C54-H64-N10-O14-S2
Molecular weight:
1141.280
InChI:
InChI=1S/C54H64N10O14S2/c1-10-79-50-41-49(74)64(9)54(22-27(54)3)52(76)78-24-34(59-44(69)39-37(65)19-30-15-11-13-17-32(30)57-39)42(67)55-28(4)46(71)61(6)36(25-80-50)48(73)63(8)53(21-26(53)2)51(75)77-23-35(43(68)56-29(5)47(72)62(41)7)60-45(70)40-38(66)20-31-16-12-14-18-33(31)58-40/h11-20,26-29,34-36,41,50,65-66H,10,21-25H2,1-9H3,(H,55,67)(H,56,68)(H,59,69)(H,60,70)
InChI key:
PVGUHCMGVWCBAB-UHFFFAOYSA-N
SMILES:
CCSC1SCC2N(C)C(=O)C(C)NC(=O)C(COC(=O)C3(CC3C)N(C)C(=O)C1N(C)C(=O)C(C)NC(=O)C(COC(=O)C1(CC1C)N(C)C2=O)NC(=O)c1nc2ccccc2cc1O)NC(=O)c1nc2ccccc2cc1O
Systematic name (3):
5,5′-(2,4-ジチアヘキサン-1,3-ジイル)ビス[2,2-(1-メチルエチレン)-3,6,8-トリメチル-4,7,10-トリオキソ-11-[(3-ヒドロキシキノリン-2-イル)カルボニルアミノ]-12-ヒドロキシ-3,6,9-トリアザドデカン酸]1,12′:1′,12-ジラクトン
N-[27'-(エチルスルファニル)-8'-(3-ヒドロキシキノリン-2-アミド)-2,2'',3',11',13',16',24',26'-オクタメチル-2',5',9',12',15',18',22',25'-オクタオキソジスピロ[シクロプロパン-1,4'-[6,19]ジオキサ-[28]チア-[3,10,13,16,23,26]ヘキサアザビシクロ[12.12.3]ノナコサン-17',1''-シクロプロパン]-21'-イル]-3-ヒドロキシキノリン-2-カルボキサミド
N-[27'-(ethylsulfanyl)-8'-(3-hydroxyquinoline-2-amido)-2,2'',3',11',13',16',24',26'-octamethyl-2',5',9',12',15',18',22',25'-octaoxodispiro[cyclopropane-1,4'-[6,19]dioxa-[28]thia-[3,10,13,16,23,26]hexaazabicyclo[12.12.3]nonacosane-17',1''-cyclopropan]-21'-yl]-3-hydroxyquinoline-2-carboxamide
Other name (2):
5,5′-(2,4-Dithiahexane-1,3-diyl)bis[2,2-(1-methylethylene)-3,6,8-trimethyl-4,7,10-trioxo-11-[(3-hydroxyquinoline-2-yl)carbonylamino]-12-hydroxy-3,6,9-triazadodecanoic acid]1,12′:1′,12-dilactone
SW-163E
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