Summary
Molecular formula: C84H150N18O19
SMILES: OC[C@@H]1NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)CN(C(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](N(C1=O)C)C(C)C)C(C)C)C)C(C)C)C(C)C)C)C(C)C)C)C)C(C)C)C(C)C)C)C(C)CInChI: InChI=1S/C84H150N18O19/c1-40(2)58-80(117)93(27)37-56(104)85-51(23)76(113)97(31)62(44(9)10)70(107)86-52(24)77(114)98(32)64(46(13)14)72(109)88-55(39-103)79(116)100(34)66(48(17)18)74(111)91-61(43(7)8)83(120)102(36)67(49(19)20)75(112)92-60(42(5)6)82(119)101(35)63(45(11)12)71(108)87-53(25)78(115)99(33)65(47(15)16)73(110)90-59(41(3)4)81(118)94(28)38-57(105)96(30)68(50(21)22)84(121)95(29)54(26)69(106)89-58/h40-55,58-68,103H,37-39H2,1-36H3,(H,85,104)(H,86,107)(H,87,108)(H,88,109)(H,89,106)(H,90,110)(H,91,111)(H,92,112)/t51-,52-,53-,54-,55-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-/m0/s1InChIKey: UKMCVIMJRQDJCZ-XBELMMIXSA-N
Molecular scaffolds
Scaffold Graph/Node/Bond level:O=C1CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN1
Scaffold Graph/Node level:OC1CNC(O)CNC(O)CNC(O)CNC(O)CNC(O)CNC(O)CNC(O)CNC(O)CNC(O)CNC(O)CNC(O)CNC(O)CNC(O)CNC(O)CNC(O)CNC(O)CNC(O)CN1
Scaffold Graph level:CC1CCC(C)CCC(C)CCC(C)CCC(C)CCC(C)CCC(C)CCC(C)CCC(C)CCC(C)CCC(C)CCC(C)CCC(C)CCC(C)CCC(C)CCC(C)CCC(C)CCC(C)CC1
Chemical classification
Kingdom: Organic compounds
Super class: Organic acids and derivativesClass: Carboxylic acids and derivatives
Sub class: Amino acids, peptides, and analogues
Synonymous chemical names:gymnopeptide a
External chemical identifiers:CID_132562359; NPATLAS_NPA016227; CHEMSPIDER_78442728
Chemical structure download
