Summary

SMILES: CCC(C1NC(=O)C2C(CCN2C(=O)C(N(C)C)Cc2c[nH]c3c2cccc3)Oc2cc(/C=CNC1=O)c(OC)cc2)C
InChI: InChI=1S/C33H41N5O5/c1-6-20(2)29-31(39)34-15-13-21-17-23(11-12-27(21)42-5)43-28-14-16-38(30(28)32(40)36-29)33(41)26(37(3)4)18-22-19-35-25-10-8-7-9-24(22)25/h7-13,15,17,19-20,26,28-30,35H,6,14,16,18H2,1-5H3,(H,34,39)(H,36,40)/b15-13-
InChIKey: ZBSVQPVKCVFMBL-SQFISAMPSA-N
DeepSMILES: CCCCNC=O)CCCCN5C=O)CNC)C))Ccc[nH]cc5cccc6)))))))))))))))Occc/C=CNC%13=O)))))cOC))cc6))))))))))))C
Scaffold Graph/Node/Bond level: O=C1CNC(=O)C2C(CCN2C(=O)CCc2c[nH]c3ccccc23)Oc2cccc(c2)C=CN1
Scaffold Graph/Node level: OC1CNC(O)C2C(CCN2C(O)CCC2CNC3CCCCC23)OC2CCCC(CCN1)C2
Scaffold Graph level: CC1CCCC2CCCC(C2)CC2CCC(C(C)CCC3CCC4CCCCC43)C2C(C)CC1
Functional groups: CC(=O)N(C)C; CN(C)C; CNC(C)=O; c/C=C/NC(C)=O; cOC; c[nH]c

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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 r

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External chemical identifiers:
CID:101426140

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Chemical structure download