Summary

SMILES: CC[C@H]([C@@H](C(=O)N[C@@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)N/C=Cc2ccc(O[C@H]1C(C)C)cc2)N(C)C)C
InChI: InChI=1S/C31H42N4O4/c1-7-21(4)27(35(5)6)31(38)34-26-28(20(2)3)39-24-15-13-22(14-16-24)17-18-32-29(36)25(33-30(26)37)19-23-11-9-8-10-12-23/h8-18,20-21,25-28H,7,19H2,1-6H3,(H,32,36)(H,33,37)(H,34,38)/b18-17-/t21-,25+,26+,27+,28+/m1/s1
InChIKey: PFSHVBJLBKINQV-CQEYMGPISA-N
DeepSMILES: CC[C@H][C@@H]C=O)N[C@@H]C=O)N[C@@H]Ccccccc6)))))))C=O)N/C=CccccO[C@H]%14CC)C))))cc6))))))))))))))))NC)C)))C
Scaffold Graph/Node/Bond level: O=C1CCOc2ccc(cc2)C=CNC(=O)C(Cc2ccccc2)N1
Scaffold Graph/Node level: OC1CCOC2CCC(CCNC(O)C(CC3CCCCC3)N1)CC2
Scaffold Graph level: CC1CCCC2CCC(CCCC(C)C(CC3CCCCC3)C1)CC2
Functional groups: CN(C)C; CNC(C)=O; c/C=CNC(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:
scutianine c

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External chemical identifiers:
CID:102239804; ZINC:ZINC000238786050

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Chemical structure download