Chem
J-GLOBAL ID：200907005294761804   Nikkaji number：J2.732.190I

Sanguinamide A

サングインアミドA
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： C37H51N7O6S
Molecular formula furigana： C37-H51-N7-O6-S
Molecular weight： 721.920
InChI： InChI=1S/C37H51N7O6S/c1-6-21(3)29-35-40-26(20-51-35)32(46)38-23(5)31(45)39-25(19-24-13-9-8-10-14-24)36(49)43-17-11-15-27(43)34(48)42-30(22(4)7-2)37(50)44-18-12-16-28(44)33(47)41-29/h8-10,13-14,20-23,25,27-30H,6-7,11-12,15-19H2,1-5H3,(H,38,46)(H,39,45)(H,41,47)(H,42,48)/t21?,22?,23-,25-,27-,28-,29-,30-/m0/s1
InChI key： WRYMAGLGOZIEQC-ISVNPZOTSA-N
SMILES： CCC(C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)c2csc1n2)C(C)CC
Systematic name  (3)：
  • (2S,5S,8S,11S,14S,21S)-2,3:8,9-ジプロパノ-17,20-ニトリロ-5,21-ビス(1-メチルプロピル)-11-ベンジル-14-メチル-19-チア-3,6,9,12,15,22-ヘキサアザシクロドコサン-17-エン-1,4,7,10,13,16-ヘキサオン
  • (2S,5S,11S,14S,20S,23S)-20-ベンジル-2,11-ビス(ブタン-2-イル)-23-メチル-28-チア-3,9,12,18,21,24,29-ヘプタアザテトラシクロ[24.2.1.05,9.014,18]ノナコサ-1(29),26-ジエン-4,10,13,19,22,25-ヘキサオン
  • (2S,5S,11S,14S,20S,23S)-20-benzyl-2,11-bis(butan-2-yl)-23-methyl-28-thia-3,9,12,18,21,24,29-heptaazatetracyclo[24.2.1.05,9.014,18]nonacosa-1(29),26-diene-4,10,13,19,22,25-hexone
Other name (3)：
  • (2S,5S,8S,11S,14S,21S)-2,3:8,9-Dipropano-17,20-nitrilo-5,21-bis(1-methylpropyl)-11-benzyl-14-methyl-19-thia-3,6,9,12,15,22-hexaazacyclodocosane-17-ene-1,4,7,10,13,16-hexaone
  • サングインアミドA
  • Sanguinamide A
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