Summary

SMILES: CN[C@H](C(=O)N[C@H](C(=O)N1CC[C@H]2[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N/C=Cc1cc(O2)ccc1OC)C(C)C)C
InChI: InChI=1S/C32H41N5O6/c1-19(2)27(36-29(38)20(3)33-4)32(41)37-16-14-26-28(37)31(40)35-24(17-21-9-7-6-8-10-21)30(39)34-15-13-22-18-23(43-26)11-12-25(22)42-5/h6-13,15,18-20,24,26-28,33H,14,16-17H2,1-5H3,(H,34,39)(H,35,40)(H,36,38)/b15-13-/t20-,24-,26-,27-,28-/m0/s1
InChIKey: ZAVCUVYFGQXSRX-FZIJLZBSSA-N
DeepSMILES: CN[C@H]C=O)N[C@H]C=O)NCC[C@H][C@H]5C=O)N[C@@H]Ccccccc6)))))))C=O)N/C=CcccO%13)ccc6OC)))))))))))))))))))))CC)C)))))C
Scaffold Graph/Node/Bond level: O=C1NC=Cc2cccc(c2)OC2CCNC2C(=O)NC1Cc1ccccc1
Scaffold Graph/Node level: OC1NCCC2CCCC(C2)OC2CCNC2C(O)NC1CC1CCCCC1
Scaffold Graph level: CC1CCCC2CCCC(C2)CC2CCCC2C(C)CC1CC1CCCCC1
Functional groups: CN(C)C(C)=O; CNC; CNC(C)=O; c/C=C/NC(C)=O; cOC

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Chemical classification

ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Organic acids and derivatives
ClassyFire Class: Carboxylic acids and derivatives
ClassyFire Subclass: Amino acids, peptides, and analogues
NP Classifier Biosynthetic pathway: Alkaloids|Amino acids and Peptides
NP Classifier Superclass: Peptide alkaloids
NP Classifier Class: Ansa peptide alkaloids

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Synonymous chemical names:
nummularine b

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External chemical identifiers:
CID:101798848; ZINC:ZINC000238731419

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Chemical structure download