Chem
J-GLOBAL ID：200907018324195730   Nikkaji number：J2.072.871J

Cyclo[D-Trp-L-Lys-[3-[3-methyl-5-(4-amino*butyl)-6-oxo-1,6-dihydropyrazine-2-yl]propionyl]-L-Tyr-]

シクロ[D-Trp-L-Lys-[3-[3-メチル-5-(4-アミノ*ブチル)-6-オキソ-1,6-ジヒドロピラジン-2-イル]プロピオニル]-L-Tyr-]
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： C38H48N8O6
Molecular formula furigana： C38-H48-N8-O6
Molecular weight： 712.852
InChI： InChI=1S/C38H48N8O6/c1-23-28-16-17-34(48)43-32(20-24-12-14-26(47)15-13-24)37(51)46-33(21-25-22-41-29-9-3-2-8-27(25)29)38(52)45-30(10-4-6-18-39)35(49)40-19-7-5-11-31(42-23)36(50)44-28/h2-3,8-9,12-15,22,30,32-33,41,47H,4-7,10-11,16-21,39H2,1H3,(H,40,49)(H,43,48)(H,44,50)(H,45,52)(H,46,51)/t30-,32-,33+/m0/s1
InChI key： PKIXUVQMKAFFAC-FLPLPDKSSA-N
SMILES： Cc1nc2CCCCNC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CCc1[nH]c2=O
Systematic name  (3)：
  • シクロ[D-Trp-L-Lys-[3-[3-メチル-5-(4-アミノ*ブチル)-6-オキソ-1,6-ジヒドロピラジン-2-イル]プロピオニル]-L-Tyr-]
  • (6S,9R,12S)-12-(4-アミノブチル)-6-[(4-ヒドロキシフェニル)メチル]-9-[(1H-インドール-3-イル)メチル]-21-メチル-5,8,11,14,20,22-ヘキサアザビシクロ[17.2.2]トリコサ-1(21),19-ジエン-4,7,10,13,23-ペンタオン
  • (6S,9R,12S)-12-(4-aminobutyl)-6-[(4-hydroxyphenyl)methyl]-9-[(1H-indol-3-yl)methyl]-21-methyl-5,8,11,14,20,22-hexaazabicyclo[17.2.2]tricosa-1(21),19-diene-4,7,10,13,23-pentone
Other name (1)：
  • Cyclo[D-Trp-L-Lys-[3-[3-methyl-5-(4-amino*butyl)-6-oxo-1,6-dihydropyrazine-2-yl]propionyl]-L-Tyr-]
Thsaurus map：
Thesaurus Map

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