Chem
J-GLOBAL ID：200907098577571988
Nikkaji number：J1.713.349G
Gly-S-[[3-Carboxylato-4-[3-(dimethyliminio)-6-(dimethylamino)-3H-xanthene-9-yl]phenyl]carbamoylmethyl]-Cys-Asp-Asp-Arg-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-Asp-Asp-Arg-OH
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
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
Molecular formula： C45H55N10[N+]O13[O-]S
Molecular formula furigana： C45-H55-N11-O14-S
Molecular weight： 1006.060
InChI：
InChI=1S/C45H55N11O14S/c1-55(2)23-8-11-26-33(15-23)70-34-16-24(56(3)4)9-12-27(34)39(26)25-10-7-22(14-28(25)43(66)67)50-36(58)21-71-20-32(51-35(57)19-46)42(65)54-31(18-38(61)62)41(64)53-30(17-37(59)60)40(63)52-29(44(68)69)6-5-13-49-45(47)48/h7-12,14-16,29-32H,5-6,13,17-21,46H2,1-4H3,(H12,47,48,49,51,52,53,54,57,59,60,61,62,63,64,65,66,67,68,69)/t29-,30-,31-,32-/m0/s1
InChI key：
UAJKZYQMJDJKDB-YDPTYEFTSA-N
SMILES：
CN(C)c1ccc2c(c3ccc(NC(=O)CSC[C@H](NC(=O)CN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)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-Asp-Asp-Arg-OH
- 5-(2-{[(2R)-2-(2-アミノアセトアミド)-2-{[(1S)-1-{[(1S)-1-{[(1S)-4-カルバムイミドアミド-1-カルボキシブチル]カルバモイル}-2-カルボキシエチル]カルバモイル}-2-カルボキシエチル]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)-1-{[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl}-2-carboxyethyl]carbamoyl}-2-carboxyethyl]carbamoyl}ethyl]sulfanyl}acetamido)-2-[6-(dimethylamino)-3-(dimethyliminiumyl)-3H-xanthen-9-yl]benzoate
- Gly-S-[[3-Carboxylato-4-[3-(dimethyliminio)-6-(dimethylamino)-3H-xanthene-9-yl]phenyl]carbamoylmethyl]-Cys-Asp-Asp-Arg-OH
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