Summary

Molecular formula: C85H152N18O19
SMILES: O=C1CN(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)C(=O)[C@@H](NC(=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](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(C(=O)[C@@H](N1)C)C)C(C)C)C)C)C(C)C)[C@H](O)C)C)C(C)C)C(C)C)C)C(C)C)C(C)C)C(C)C)C(C)C
InChI: InChI=1S/C85H152N18O19/c1-40(2)58-80(117)94(28)38-56(105)86-51(23)77(114)98(32)63(44(9)10)71(108)87-52(24)79(116)100(34)66(47(15)16)76(113)93-62(55(27)104)84(121)103(37)68(49(19)20)75(112)92-61(43(7)8)83(120)102(36)67(48(17)18)74(111)91-60(42(5)6)82(119)101(35)64(45(11)12)72(109)88-53(25)78(115)99(33)65(46(13)14)73(110)90-59(41(3)4)81(118)95(29)39-57(106)97(31)69(50(21)22)85(122)96(30)54(26)70(107)89-58/h40-55,58-69,104H,38-39H2,1-37H3,(H,86,105)(H,87,108)(H,88,109)(H,89,107)(H,90,110)(H,91,111)(H,92,112)(H,93,113)/t51-,52-,53-,54-,55+,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-/m0/s1
InChIKey: HMASTEQXASMBFL-OWVWYMDTSA-N

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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

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Chemical classification

Kingdom: Organic compounds
Super class: Organic acids and derivatives
Class: Carboxylic acids and derivatives
Sub class: Amino acids, peptides, and analogues

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Synonymous chemical names:
gymnopeptide b

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External chemical identifiers:
CID_132562360; NPATLAS_NPA017798; CHEMSPIDER_78442754

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Chemical structure download