Summary

SMILES: CCC(C(C(=O)N1CCC2C1C(=O)NC(C(CC)C)C(=O)N/C=Cc1ccc(O2)cc1)NC(=O)C(N(C)C)Cc1ccccc1)C
InChI: InChI=1S/C36H49N5O5/c1-7-23(3)30-34(43)37-20-18-25-14-16-27(17-15-25)46-29-19-21-41(32(29)35(44)38-30)36(45)31(24(4)8-2)39-33(42)28(40(5)6)22-26-12-10-9-11-13-26/h9-18,20,23-24,28-32H,7-8,19,21-22H2,1-6H3,(H,37,43)(H,38,44)(H,39,42)/b20-18-
InChIKey: VNEXXKFUERBRNG-ZZEZOPTASA-N
DeepSMILES: CCCCC=O)NCCCC5C=O)NCCCC))C))C=O)N/C=CccccO%14)cc6)))))))))))))))))))NC=O)CNC)C))Ccccccc6)))))))))))C
Scaffold Graph/Node/Bond level: O=C1CNC(=O)C2C(CCN2C(=O)CNC(=O)CCc2ccccc2)Oc2ccc(cc2)C=CN1
Scaffold Graph/Node level: OC(CCC1CCCCC1)NCC(O)N1CCC2OC3CCC(CCNC(O)CNC(O)C21)CC3
Scaffold Graph level: CC(CCC1CCCCC1)CCC(C)C1CCC2CC3CCC(CCCC(C)CCC(C)C21)CC3
Functional groups: CC(=O)N(C)C; 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:
amphibine d

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External chemical identifiers:
CID:12306074

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Chemical structure download