Summary

SMILES: CN[C@H](C(=O)N1CC[C@H]2[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N/C=Cc1ccc(O2)cc1)C(C)C
InChI: InChI=1S/C28H34N4O4/c1-18(2)24(29-3)28(35)32-16-14-23-25(32)27(34)31-22(17-20-7-5-4-6-8-20)26(33)30-15-13-19-9-11-21(36-23)12-10-19/h4-13,15,18,22-25,29H,14,16-17H2,1-3H3,(H,30,33)(H,31,34)/b15-13-/t22-,23-,24-,25-/m0/s1
InChIKey: PQMYDJKBJAJSEN-WHAOFZNWSA-N
DeepSMILES: CN[C@H]C=O)NCC[C@H][C@H]5C=O)N[C@@H]Ccccccc6)))))))C=O)N/C=CccccO%14)cc6)))))))))))))))))))CC)C
Scaffold Graph/Node/Bond level: O=C1NC=Cc2ccc(cc2)OC2CCNC2C(=O)NC1Cc1ccccc1
Scaffold Graph/Node level: OC1NCCC2CCC(CC2)OC2CCNC2C(O)NC1CC1CCCCC1
Scaffold Graph level: CC1CCCC2CCC(CC2)CC2CCCC2C(C)CC1CC1CCCCC1
Functional groups: CN(C)C(C)=O; CNC; 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:
mauritine c

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External chemical identifiers:
CID:102353416

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Chemical structure download