Chem
J-GLOBAL ID：200907010721000848   Nikkaji number：J1.138.588E

T140

T140
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： C90H141N33O18S2
Molecular formula furigana： C90-H141-N33-O18-S2
Molecular weight： 2037.450
InChI： InChI=1S/C90H141N33O18S2/c91-35-5-3-17-58-74(129)116-63(18-4-6-36-92)83(138)123-43-13-24-70(123)82(137)120-66(46-51-28-33-56(125)34-29-51)78(133)115-61(21-10-40-108-88(100)101)73(128)113-62(22-11-42-110-90(104)141)76(131)121-68(80(135)117-64(84(139)140)23-12-41-109-89(102)103)48-142-143-49-69(81(136)119-65(45-50-26-31-55(124)32-27-50)77(132)114-60(72(127)112-58)20-9-39-107-87(98)99)122-79(134)67(47-52-25-30-53-14-1-2-15-54(53)44-52)118-75(130)59(19-8-38-106-86(96)97)111-71(126)57(93)16-7-37-105-85(94)95/h1-2,14-15,25-34,44,57-70,124-125H,3-13,16-24,35-43,45-49,91-93H2,(H,111,126)(H,112,127)(H,113,128)(H,114,132)(H,115,133)(H,116,129)(H,117,135)(H,118,130)(H,119,136)(H,120,137)(H,121,131)(H,122,134)(H,139,140)(H4,94,95,105)(H4,96,97,106)(H4,98,99,107)(H4,100,101,108)(H4,102,103,109)(H3,104,110,141)/t57-,58-,59-,60-,61-,62-,63+,64-,65-,66-,67-,68-,69-,70-/m0/s1
InChI key： IMOHHNXUCDZLKM-ADZSTZGASA-N
SMILES： NCCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC1=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N
Systematic name  (4)：
  • L-Arg-L-Arg-L-βNal-L-Cys(1)-L-Tyr-L-Arg-L-Lys-D-Lys-L-Pro-L-Tyr-L-Arg-L-Cit-L-Cys(1)-L-Arg-OH
  • L-Arg-L-Arg-3-(2-ナフチル)-L-Ala-L-Cys(1)-L-Tyr-L-Arg-L-Lys-D-Lys-L-Pro-L-Tyr-L-Arg-L-Cit-L-Cys(1)-L-Arg-OH
  • (2S)-2-{[(3S,6S,9S,12R,17R,20S,23S,26S,29R,34aS)-17-[(2S)-2-[(2S)-2-[(2S)-2-アミノ-5-カルバムイミドアミドペンタンアミド]-5-カルバムイミドアミドペンタンアミド]-3-(ナフタレン-2-イル)プロパンアミド]-26,29-ビス(4-アミノブチル)-6,23-ビス(3-カルバムイミドアミドプロピル)-9-[3-(カルバモイルアミノ)プロピル]-3,20-ビス[(4-ヒドロキシフェニル)メチル]-1,4,7,10,18,21,24,27,30-ノナオキソ-ドトリアコンタヒドロピロロ[2,1-p]1,2-ジチア-5,8,11,14,17,20,23,26,29-ノナアザシクロドトリアコンタン-12-イル]ホルムアミド}-5-カルバムイミドアミドペンタン酸
  • (2S)-2-{[(3S,6S,9S,12R,17R,20S,23S,26S,29R,34aS)-17-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-(naphthalen-2-yl)propanamido]-26,29-bis(4-aminobutyl)-6,23-bis(3-carbamimidamidopropyl)-9-[3-(carbamoylamino)propyl]-3,20-bis[(4-hydroxyphenyl)methyl]-1,4,7,10,18,21,24,27,30-nonaoxo-dotriacontahydropyrrolo[2,1-p]1,2-dithia-5,8,11,14,17,20,23,26,29-nonaazacyclodotriacontan-12-yl]formamido}-5-carbamimidamidopentanoic acid
Other name (3)：
  • T140
  • L-Arg-L-Arg-3-(2-Naphthyl)-L-Ala-L-Cys(1)-L-Tyr-L-Arg-L-Lys-D-Lys-L-Pro-L-Tyr-L-Arg-L-Cit-L-Cys(1)-L-Arg-OH
  • T-140
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