41-Methylsulfomycin I

41-メチルスルホマイシンI

Decided structure
Molecular formula： C₅₅H₅₄N₁₆O₁₆S₂
Molecular formula furigana： C55-H54-N16-O16-S2
Molecular weight： 1259.250

InChI： InChI=1S/C55H54N16O16S2/c1-13-30-51-69-37(27(10)86-51)48(82)60-23(6)43(77)61-24(7)50-68-36(26(9)85-50)39-29(14-15-31(62-39)44(78)59-22(5)42(76)58-21(4)41(75)57-20(3)40(56)74)54-65-34(17-88-54)46(80)67-35(25(8)73)47(81)64-32(16-19(2)72)52-70-38(28(11)87-52)49(83)71-53(84-12)55-66-33(18-89-55)45(79)63-30/h13-19,25,35,53,72-73H,3-7H2,1-2,8-12H3,(H2,56,74)(H,57,75)(H,58,76)(H,59,78)(H,60,82)(H,61,77)(H,63,79)(H,64,81)(H,67,80)(H,71,83)

InChI key： AGPXPIZWMMLJPG-UHFFFAOYSA-N

SMILES： COC1NC(=O)c2nc(oc2C)C(=CC(C)O)NC(=O)C(NC(=O)c2csc(n2)c2ccc(nc2c2nc(oc2C)C(=C)NC(=O)C(=C)NC(=O)c2nc(oc2C)C(=CC)NC(=O)c2csc1n2)C(=O)NC(=C)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)C(C)O

Systematic name (3)：

41-メチルスルホマイシンI
N-(1-カルバモイルエタ-1-エン-1-イル)-2-(2-{[31-エチリデン-14-(1-ヒドロキシエチル)-17-(2-ヒドロキシプロピリデン)-24-メトキシ-20,34,44-トリメチル-38,41-ジメチリデン-12,15,22,29,36,39-ヘキサオキソ-19,33,43-トリオキサ-9,26-ジチア-3,13,16,23,30,37,40,45,46,47,48,49-ドデカアザヘプタシクロ[40.2.1.1^8,11.1^18,21.1^25,28.1^32,35.0^2,7]ノナテトラコンタ-1(44),2,4,6,8(49),10,18(48),20,25(47),27,32(46),34,42(45)-トリデカエン-4-イル]ホルムアミド}プロパ-2-エンアミド)プロパ-2-エンアミド
N-(1-carbamoyleth-1-en-1-yl)-2-(2-{[31-ethylidene-14-(1-hydroxyethyl)-17-(2-hydroxypropylidene)-24-methoxy-20,34,44-trimethyl-38,41-dimethylidene-12,15,22,29,36,39-hexaoxo-19,33,43-trioxa-9,26-dithia-3,13,16,23,30,37,40,45,46,47,48,49-dodecaazaheptacyclo[40.2.1.1^8,11.1^18,21.1^25,28.1^32,35.0^2,7]nonatetraconta-1(44),2,4,6,8(49),10,18(48),20,25(47),27,32(46),34,42(45)-tridecaen-4-yl]formamido}prop-2-enamido)prop-2-enamide

Other name (6)：

41-Methylsulfomycin I
メチルスルホマイシンI
Methylsulfomycin I
Methylsulfomycin
メチルスルホマイシン

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CAS registry number： 202606-10-8

KEGG COMPOUND： C15741

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