Chem
J-GLOBAL ID：200907040705905853   Nikkaji number：J1.279.156I

MT-II

MT-II
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： C50H69N15O9
Molecular formula furigana： C50-H69-N15-O9
Molecular weight： 1024.198
InChI： InChI=1S/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40?,41?/m0/s1
InChI key： JDKLPDJLXHXHNV-VEUPWBLKSA-N
SMILES： CCCC[C@H](NC(=O)C)C(=O)NC1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)C(Cc2c[nH]cn2)NC1=O)C(=O)N
Systematic name  (4)：
  • N-Ac-L-Nle-L-Asp(1)-L-His-D-Phe-L-Arg-L-Trp-L-Lys(1)-NH2
  • シクロ[L-Arg-L-Trp-[(5S)-5-アミノ*-6-オキソ-6-アミノヘキシル]-N2-(N-アセチル-L-ノルロイシル)-4-オキソ-L-A2bu*-L-His-D-Phe-]
  • (3S,6S,9R,12S,15S,23S)-9-ベンジル-6-(3-カルバムイミドアミドプロピル)-15-[(2S)-2-アセトアミドヘキサンアミド]-12-[(1H-イミダゾール-4-イル)メチル]-3-[(1H-インドール-3-イル)メチル]-2,5,8,11,14,17-ヘキサオキソ-1,4,7,10,13,18-ヘキサアザシクロトリコサン-23-カルボキサミド
  • (3S,6S,9R,12S,15S,23S)-9-benzyl-6-(3-carbamimidamidopropyl)-15-[(2S)-2-acetamidohexanamido]-12-[(1H-imidazol-4-yl)methyl]-3-[(1H-indol-3-yl)methyl]-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexaazacyclotricosane-23-carboxamide
Other name (2)：
  • MT-II
  • Cyclo[L-Arg-L-Trp-[(5S)-5-amino*-6-oxo-6-aminohexyl]-N2-(N-acetyl-L-norleucyl)-4-oxo-L-A2bu*-L-His-D-Phe-]
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