Chem
J-GLOBAL ID：200907020804768050   Nikkaji number：J674.661F

Patellamide C

パテラミドC
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： C37H46N8O6S2
Molecular formula furigana： C37-H46-N8-O6-S2
Molecular weight： 762.950
InChI： InChI=1S/C37H46N8O6S2/c1-8-18(4)27-35-45-29(21(7)51-35)33(49)39-23(14-22-12-10-9-11-13-22)37-41-25(16-53-37)30(46)42-26(17(2)3)34-44-28(20(6)50-34)32(48)38-19(5)36-40-24(15-52-36)31(47)43-27/h9-13,15-21,23,26-29H,8,14H2,1-7H3,(H,38,48)(H,39,49)(H,42,46)(H,43,47)/t18?,19-,20-,21-,23-,26+,27+,28+,29+/m1/s1
InChI key： CFXBLGFMQUFLKS-LLYUHXFGSA-N
SMILES： CCC(C)[C@@H]1NC(=O)c2csc(n2)[C@@H](C)NC(=O)[C@H]2N=C(O[C@@H]2C)[C@@H](NC(=O)c2csc(n2)[C@@H](Cc2ccccc2)NC(=O)[C@H]2N=C1O[C@@H]2C)C(C)C
Systematic name  (3)：
  • (3S,10R,13S,14R,17S,24R,27S,28R)-3-イソプロピル-10-ベンジル-14,24,28-トリメチル-17-(sec-ブチル)-6,9:13,16:20,23:27,2-テトラエピニトリロ-1,15-ジオキサ-8,22-ジチア-4,11,18,25-テトラアザシクロオクタコサ-6,20-ジエン-5,12,19,26-テトラオン
  • (4S,7R,8S,11R,18S,21R,22S,25R)-11-ベンジル-4-(ブタン-2-イル)-7,21,25-トリメチル-18-(プロパン-2-イル)-6,20-ジオキサ-13,27-ジチア-3,10,17,24,29,30,31,32-オクタアザペンタシクロ[24.2.1.15,8.112,15.119,22]ドトリアコンタ-1(28),5(32),12(31),14,19(30),26(29)-ヘキサエン-2,9,16,23-テトラオン
  • (4S,7R,8S,11R,18S,21R,22S,25R)-11-benzyl-4-(butan-2-yl)-7,21,25-trimethyl-18-(propan-2-yl)-6,20-dioxa-13,27-dithia-3,10,17,24,29,30,31,32-octaazapentacyclo[24.2.1.15,8.112,15.119,22]dotriaconta-1(28),5(32),12(31),14,19(30),26(29)-hexaene-2,9,16,23-tetrone
Other name (3)：
  • パテラミドC
  • Patellamide C
  • (3S,10R,13S,14R,17S,24R,27S,28R)-3-Isopropyl-10-benzyl-14,24,28-trimethyl-17-(sec-butyl)-6,9:13,16:20,23:27,2-tetraepinitrilo-1,15-dioxa-8,22-dithia-4,11,18,25-tetraazacyclooctacosa-6,20-diene-5,12,19,26-tetrone
CAS registry number： 81120-74-3
KEGG COMPOUND： C15735
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