Summary

SMILES: CC[C@H]([C@@H]1NC(=O)[C@@H]2[C@H](CCN2C(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)N(C)C)CC(C)C)Oc2ccc(/C=CNC1=O)cc2)C
InChI: InChI=1S/C33H51N5O5/c1-9-21(5)27-30(39)34-17-15-23-11-13-24(14-12-23)43-26-16-18-38(29(26)32(41)36-27)33(42)25(19-20(3)4)35-31(40)28(37(7)8)22(6)10-2/h11-15,17,20-22,25-29H,9-10,16,18-19H2,1-8H3,(H,34,39)(H,35,40)(H,36,41)/b17-15-/t21-,22+,25+,26+,27+,28+,29+/m1/s1
InChIKey: AOJOFALXLFIDNA-LPAABWEISA-N
DeepSMILES: CC[C@H][C@@H]NC=O)[C@@H][C@H]CCN5C=O)[C@@H]NC=O)[C@H][C@H]CC))C))NC)C)))))CCC)C))))))))Occcc/C=CNC%14=O)))))cc6))))))))))))C
Scaffold Graph/Node/Bond level: O=C1CNC(=O)C2NCCC2Oc2ccc(cc2)C=CN1
Scaffold Graph/Node level: OC1CNC(O)C2NCCC2OC2CCC(CCN1)CC2
Scaffold Graph level: CC1CCCC2CCC(CC2)CC2CCCC2C(C)CC1
Functional groups: CN(C)C; CN(C)C(C)=O; 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 d, mauritinen d

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External chemical identifiers:
CID:102146051

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Chemical structure download