Summary
SMILES: CCCCCCC[C@H](CC(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H]1[C@@H](C)OC(=O)[C@@H](NC(=O)[C@@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC1=O)C(C)C)CC(C)C)CO)[C@H](CC)C)CCC(=O)O)CC(C)C)OInChI: InChI=1S/C54H95N9O16/c1-13-15-16-17-18-19-34(66)25-41(67)55-36(22-28(3)4)47(71)56-35(20-21-42(68)69)46(70)63-45-33(12)79-54(78)44(32(11)14-2)62-51(75)40(27-65)60-48(72)37(23-29(5)6)57-50(74)39(26-64)59-49(73)38(24-30(7)8)58-52(76)43(31(9)10)61-53(45)77/h28-40,43-45,64-66H,13-27H2,1-12H3,(H,55,67)(H,56,71)(H,57,74)(H,58,76)(H,59,73)(H,60,72)(H,61,77)(H,62,75)(H,63,70)(H,68,69)/t32-,33+,34+,35+,36-,37-,38-,39+,40+,43+,44-,45+/m0/s1InChIKey: QYEWAEAWMXRMHB-YFTUCIGFSA-N
DeepSMILES: CCCCCCC[C@H]CC=O)N[C@H]C=O)N[C@@H]C=O)N[C@@H][C@@H]C)OC=O)[C@@H]NC=O)[C@@H]CO))NC=O)[C@H]CCC)C)))NC=O)[C@H]NC=O)[C@@H]NC=O)[C@H]NC%22=O)))CC)C)))))CCC)C))))))CO)))))))))))[C@H]CC))C)))))))))CCC=O)O)))))))CCC)C)))))))O
Scaffold Graph/Node/Bond level: O=C1CCOC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN1
Scaffold Graph/Node level: OC1CCOC(O)CNC(O)CNC(O)CNC(O)CNC(O)CNC(O)CN1
Scaffold Graph level: CC1CCCC(C)CCC(C)CCC(C)CCC(C)CCC(C)CCC(C)CC1
Functional groups: CC(=O)NC; CC(=O)O; CC(=O)OC; CNC(C)=O; CO
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Organic acids and derivativesClassyFire Class: Peptidomimetics
ClassyFire Subclass: Depsipeptides
NP Classifier Biosynthetic pathway: Amino acids and Peptides|Polyketides
NP Classifier Superclass: Oligopeptides
NP Classifier Class: Cyclic peptides|Depsipeptides|Lipopeptides
Synonymous chemical names:viscosin
External chemical identifiers:CID:72937; ChEMBL:CHEMBL4059769; FDASRS:085QZ2A9M9
Chemical structure download
