Chem
J-GLOBAL ID：201607003850615793   Nikkaji number：J3.514.753E

2-TRLG

13-[4-[(2-デオキシ-D-グルコピラノース-2-イル)アミノスルホニル]-2-スルホナトフェニル]-4,5-トリメチレン-7,8-トリメチレン-1,2,3,4,6,9,10,11-オクタヒドロ-4-アザ-6-オキサ-8-アゾニアペンタセン
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： C37H41N2[N+]O10[O-]S2
Molecular formula furigana： C37-H41-N3-O11-S2
Molecular weight： 767.870
InChI： InChI=1S/C37H41N3O11S2/c41-18-27-33(42)34(43)30(37(44)50-27)38-52(45,46)21-9-10-22(28(17-21)53(47,48)49)29-25-15-19-5-1-11-39-13-3-7-23(31(19)39)35(25)51-36-24-8-4-14-40-12-2-6-20(32(24)40)16-26(29)36/h9-10,15-17,27,30,33-34,37-38,41-44H,1-8,11-14,18H2/t27-,30-,33-,34-,37?/m1/s1
InChI key： VWYHCQLDPONVCU-ISXDZOFPSA-N
SMILES： OC[C@H]1OC(O)[C@H](NS(=O)(=O)c2ccc(C3=c4cc5CCC[N+]6=c5c(CCC6)c4Oc4c5CCCN6CCCc(cc34)c56)c(c2)S(=O)(=O)[O-])[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • 13-[4-[(2-デオキシ-D-グルコピラノース-2-イル)アミノスルホニル]-2-スルホナトフェニル]-4,5-トリメチレン-7,8-トリメチレン-1,2,3,4,6,9,10,11-オクタヒドロ-4-アザ-6-オキサ-8-アゾニアペンタセン
  • 16-(2-スルホナト-4-{[(3R,4R,5S,6R)-2,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-3-イル]スルファモイル}フェニル)-3-オキサ-9λ5,23-ジアザヘプタシクロ[17.7.1.15,9.02,17.04,15.023,27.013,28]オクタコサ-1,4,9(28),13,15,17,19(27)-ヘプタエン-9-イリウム
  • 16-(2-sulfonato-4-{[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]sulfamoyl}phenyl)-3-oxa-9λ5,23-diazaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1,4,9(28),13,15,17,19(27)-heptaen-9-ylium
Other name (2)：
  • 13-[4-[(2-Deoxy-D-glucopyranose-2-yl)aminosulfonyl]-2-sulfonatophenyl]-4,5-trimethylene-7,8-trimethylene-1,2,3,4,6,9,10,11-octahydro-4-aza-6-oxa-8-azoniapentacene
  • 2-TRLG
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM