Summary

SMILES: CO[C@@H]1/C=C/C=C(C)/C(OC)c2cc(OC)c(c(c2)N2C(=O)C[C@@H]([C@]3([C@H]([C@@H]([C@@H]4C[C@@]1(O)NC(=O)O4)C)O3)C)OC(=O)C(C)NC(=O)C(C(C2)O)(C)O)Cl
InChI: InChI=1S/C36H48ClN3O13/c1-17-10-9-11-25(49-7)36(47)15-23(51-33(45)39-36)18(2)30-35(5,53-30)26-14-27(42)40(21-12-20(29(17)50-8)13-22(48-6)28(21)37)16-24(41)34(4,46)32(44)38-19(3)31(43)52-26/h9-13,18-19,23-26,29-30,41,46-47H,14-16H2,1-8H3,(H,38,44)(H,39,45)/b11-9+,17-10+/t18-,19?,23+,24?,25-,26+,29?,30+,34?,35+,36+/m1/s1
InChIKey: SEGCAWMBEYYQNG-ASTJGFRCSA-N
DeepSMILES: CO[C@@H]/C=C/C=CC)/COC))cccOC))ccc6)NC=O)C[C@@H][C@][C@H][C@@H][C@@H]C[C@@]%21O)NC=O)O6))))))C))O3))C))OC=O)CC)NC=O)CCC%12)O))C)O))))))))))))Cl
Scaffold Graph/Node/Bond level: O=C1CCCN2C(=O)CC(OC(=O)CN1)C1OC1CC1CC(CC=CC=CCc3cccc2c3)NC(=O)O1
Scaffold Graph/Node level: OC1CCCN2C(O)CC(OC(O)CN1)C1OC1CC1CC(CCCCCCC3CCCC2C3)NC(O)O1
Scaffold Graph level: CC1CCCC2C(C)CC(CC(C)CC1)C1CC1CC1CC(C)CC(CCCCCCC3CCCC2C3)C1
Functional groups: C/C(C)=C/C=C/C; CC(=O)OC; CNC(C)=O; CO; COC; C[C@@]1(C)O[C@H]1C; C[C@@]1(O)CCOC(=O)N1; cCl; cN(C)C(C)=O; cOC

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Chemical classification

ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Organic acids and derivatives
ClassyFire Class: Peptidomimetics
ClassyFire Subclass: Depsipeptides
NP Classifier Biosynthetic pathway: Polyketides
NP Classifier Superclass: Macrolides
NP Classifier Class: Ansa macrolides

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Synonymous chemical names:
trenudine

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External chemical identifiers:
CID:44559314; ChEMBL:CHEMBL502969

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Chemical structure download