Chem
J-GLOBAL ID：200907005179392030   Nikkaji number：J2.758.906E

N2-[4′-(Dimethylamino)azobenzene-4-ylsulfonyl]-L-Lys-[2-amino*-3-(2-nitro-4,6-dimethylphenyl)-3-methylbutyryl]-L-Tyr-N6-[3-carboxy-4-(3-oxo-6-hydroxy-3H-xanthene-9-yl)phenyl]-L-Lys-NH2

N2-[4′-(ジメチルアミノ)アゾベンゼン-4-イルスルホニル]-L-Lys-[2-アミノ*-3-(2-ニトロ-4,6-ジメチルフェニル)-3-メチルブチリル]-L-Tyr-N6-[3-カルボキシ-4-(3-オキソ-6-ヒドロキシ-3H-キサンテン-9-イル)フェニル]-L-Lys-NH2
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： C68H75N10[N+]O13[O-]S
Molecular formula furigana： C68-H75-N11-O14-S
Molecular weight： 1302.470
InChI： InChI=1S/C68H75N11O14S/c1-39-33-40(2)61(57(34-39)79(89)90)68(3,4)62(74-64(84)55(12-7-9-31-69)77-94(91,92)49-26-17-43(18-27-49)76-75-42-15-20-45(21-16-42)78(5)6)66(86)73-56(35-41-13-22-46(80)23-14-41)65(85)72-54(63(70)83)11-8-10-32-71-44-19-28-50(53(36-44)67(87)88)60-51-29-24-47(81)37-58(51)93-59-38-48(82)25-30-52(59)60/h13-30,33-34,36-38,54-56,62,71,77,80-81H,7-12,31-32,35,69H2,1-6H3,(H2,70,83)(H,72,85)(H,73,86)(H,74,84)(H,87,88)/t54-,55-,56-,62?/m0/s1
InChI key： XYAQNOHXZWIATL-QLPYANGHSA-N
SMILES： CN(C)c1ccc(cc1)N=Nc1ccc(cc1)S(=O)(=O)N[C@@H](CCCCN)C(=O)NC(C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCNc1ccc(c(c1)C(=O)O)c1c2ccc(O)cc2oc2cc(=O)ccc12)C(=O)N)C(C)(C)c1c(C)cc(C)cc1[N+](=O)[O-]
Systematic name  (3)：
  • N2-[4′-(ジメチルアミノ)アゾベンゼン-4-イルスルホニル]-L-Lys-[2-アミノ*-3-(2-ニトロ-4,6-ジメチルフェニル)-3-メチルブチリル]-L-Tyr-N6-[3-カルボキシ-4-(3-オキソ-6-ヒドロキシ-3H-キサンテン-9-イル)フェニル]-L-Lys-NH2
  • 5-{[(5S)-5-[(2S)-2-{2-[(2S)-6-アミノ-2-(4-{2-[4-(ジメチルアミノ)フェニル]ジアゼン-1-イル}ベンゼンスルホンアミド)ヘキサンアミド]-3-(2,4-ジメチル-6-ニトロフェニル)-3-メチルブタンアミド}-3-(4-ヒドロキシフェニル)プロパンアミド]-5-カルバモイルペンチル]アミノ}-2-(6-ヒドロキシ-3-オキソ-3H-キサンテン-9-イル)安息香酸
  • 5-{[(5S)-5-[(2S)-2-{2-[(2S)-6-amino-2-(4-{2-[4-(dimethylamino)phenyl]diazen-1-yl}benzenesulfonamido)hexanamido]-3-(2,4-dimethyl-6-nitrophenyl)-3-methylbutanamido}-3-(4-hydroxyphenyl)propanamido]-5-carbamoylpentyl]amino}-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid
Other name (1)：
  • N2-[4′-(Dimethylamino)azobenzene-4-ylsulfonyl]-L-Lys-[2-amino*-3-(2-nitro-4,6-dimethylphenyl)-3-methylbutyryl]-L-Tyr-N6-[3-carboxy-4-(3-oxo-6-hydroxy-3H-xanthene-9-yl)phenyl]-L-Lys-NH2
Thsaurus map：
Thesaurus Map

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