Chem
J-GLOBAL ID:200907049098370829   Nikkaji number:J1.660.674J

(4S)-4-[Nα-[[4-(3-O-Methyl-β-L-fucopyranosyloxy)phenyl]thiocarbamoyl]-Arg-Var-oxy]-4-ethyl-1H-pyrano[3′,4′:6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione

(4S)-4-[Nα-[[4-(3-O-メチル-β-L-フコピラノシルオキシ)フェニル]チオカルバモイル]-Arg-Var-オキシ]-4-エチル-1H-ピラノ[3′,4′:6,7]インドリジノ[1,2-b]キノリン-3,14(4H,12H)-ジオン
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: C40H45N7O10S
Molecular formula furigana: C40-H45-N7-O10-S
Molecular weight: 815.900
InChI: InChI=1S/C40H45N7O10S/c1-4-40(26-17-29-30-22(16-21-8-5-6-9-27(21)45-30)18-47(29)34(50)25(26)19-54-37(40)52)57-35(51)28(10-7-15-43-38(41)42)46-39(58)44-23-11-13-24(14-12-23)56-36-32(49)33(53-3)31(48)20(2)55-36/h5-6,8-9,11-14,16-17,20,28,31-33,36,48-49H,4,7,10,15,18-19H2,1-3H3,(H4,41,42,43)(H2,44,46,58)/t20-,28-,31+,32-,33+,36+,40-/m0/s1
InChI key: NRQIZOHEIPRMOV-FGVVAISPSA-N
SMILES: CC[C@@]1(OC(=O)[C@H](CCCNC(=N)N)NC(=S)Nc2ccc(O[C@H]3O[C@@H](C)[C@@H](O)[C@@H](OC)[C@@H]3O)cc2)C(=O)OCc2c1cc1c3nc4ccccc4cc3Cn1c2=O
Systematic name  (4):
  • (4S)-4-[Nα-[[4-(3-O-メチル-β-L-フコピラノシルオキシ)フェニル]チオカルバモイル]-Arg-Var-オキシ]-4-エチル-1H-ピラノ[3′,4′:6,7]インドリジノ[1,2-b]キノリン-3,14(4H,12H)-ジオン
  • (4S)-4-[Nα-[[4-(3-O-メチル-β-L-フコピラノシルオキシ)フェニル]チオカルバモイル]-Arg-D-Var-オキシ]-4-エチル-1H-ピラノ[3′,4′:6,7]インドリジノ[1,2-b]キノリン-3,14(4H,12H)-ジオン
  • (19S)-19-エチル-14,18-ジオキソ-17-オキサ-3,13-ジアザペンタシクロ[11.8.0.02,11.04,9.015,20]ヘンイコサ-1(21),2(11),3,5,7,9,15(20)-ヘプタエン-19-イル (2S)-5-カルバムイミドアミド-2-{[(4-{[(2R,3S,4R,5R,6S)-3,5-ジヒドロキシ-4-メトキシ-6-メチルオキサン-2-イル]オキシ}フェニル)カルバモチオイル]アミノ}ペンタノアート
  • (19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-19-yl (2S)-5-carbamimidamido-2-{[(4-{[(2R,3S,4R,5R,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}phenyl)carbamothioyl]amino}pentanoate
Other name (2):
  • (4S)-4-[Nα-[[4-(3-O-Methyl-β-L-fucopyranosyloxy)phenyl]thiocarbamoyl]-Arg-Var-oxy]-4-ethyl-1H-pyrano[3′,4′:6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione
  • (4S)-4-[Nα-[[4-(3-O-Methyl-β-L-fucopyranosyloxy)phenyl]thiocarbamoyl]-Arg-D-Var-oxy]-4-ethyl-1H-pyrano[3′,4′:6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione
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