Chem
J-GLOBAL ID:200907060520312237   Nikkaji number:J1.713.343H

Gly-S-[[3-Carboxylato-4-[3-(dimethyliminio)-6-(dimethylamino)-3H-xanthene-9-yl]phenyl]carbamoylmethyl]-Cys-His-Glu-His-Glu-His-Glu-His-OH

Gly-S-[[3-カルボキシラト-4-[3-(ジメチルイミニオ)-6-(ジメチルアミノ)-3H-キサンテン-9-イル]フェニル]カルバモイルメチル]-Cys-His-Glu-His-Glu-His-Glu-His-OH
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: C70H82N19[N+]O19[O-]S
Molecular formula furigana: C70-H82-N20-O20-S
Molecular weight: 1555.610
InChI: InChI=1S/C70H82N20O20S/c1-89(2)40-6-9-43-54(22-40)110-55-23-41(90(3)4)7-10-44(55)61(43)42-8-5-35(17-45(42)69(106)107)80-57(92)30-111-29-53(81-56(91)24-71)68(105)87-51(20-38-27-74-33-78-38)67(104)83-47(12-15-59(95)96)63(100)85-49(18-36-25-72-31-76-36)65(102)82-46(11-14-58(93)94)62(99)86-50(19-37-26-73-32-77-37)66(103)84-48(13-16-60(97)98)64(101)88-52(70(108)109)21-39-28-75-34-79-39/h5-10,17,22-23,25-28,31-34,46-53H,11-16,18-21,24,29-30,71H2,1-4H3,(H17,72,73,74,75,76,77,78,79,81,82,83,84,85,86,87,88,91,93,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109)/t46-,47-,48-,49-,50-,51-,52-,53-/m0/s1
InChI key: ZXFLNXQTYMNHBA-GAYSTJMUSA-N
SMILES: CN(C)c1ccc2c(c3ccc(NC(=O)CSC[C@H](NC(=O)CN)C(=O)N[C@@H](Cc4c[nH]cn4)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc4c[nH]cn4)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc4c[nH]cn4)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc4c[nH]cn4)C(=O)O)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc3oc2c1
Systematic name  (3):
  • Gly-S-[[3-カルボキシラト-4-[3-(ジメチルイミニオ)-6-(ジメチルアミノ)-3H-キサンテン-9-イル]フェニル]カルバモイルメチル]-Cys-His-Glu-His-Glu-His-Glu-His-OH
  • 5-(2-{[(2R)-2-(2-アミノアセトアミド)-2-{[(1S)-1-{[(1S)-3-カルボキシ-1-{[(1S)-1-{[(1S)-3-カルボキシ-1-{[(1S)-1-{[(1S)-3-カルボキシ-1-{[(1S)-1-カルボキシ-2-(1H-イミダゾール-4-イル)エチル]カルバモイル}プロピル]カルバモイル}-2-(1H-イミダゾール-4-イル)エチル]カルバモイル}プロピル]カルバモイル}-2-(1H-イミダゾール-4-イル)エチル]カルバモイル}プロピル]カルバモイル}-2-(1H-イミダゾール-4-イル)エチル]カルバモイル}エチル]スルファニル}アセトアミド)-2-[6-(ジメチルアミノ)-3-(ジメチルイミニウミル)-3H-キサンテン-9-イル]ベンゾアート
  • 5-(2-{[(2R)-2-(2-aminoacetamido)-2-{[(1S)-1-{[(1S)-3-carboxy-1-{[(1S)-1-{[(1S)-3-carboxy-1-{[(1S)-1-{[(1S)-3-carboxy-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}propyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}propyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}propyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}ethyl]sulfanyl}acetamido)-2-[6-(dimethylamino)-3-(dimethyliminiumyl)-3H-xanthen-9-yl]benzoate
Other name (1):
  • Gly-S-[[3-Carboxylato-4-[3-(dimethyliminio)-6-(dimethylamino)-3H-xanthene-9-yl]phenyl]carbamoylmethyl]-Cys-His-Glu-His-Glu-His-Glu-His-OH
Thsaurus map:

Return to Previous Page