Summary

Molecular formula: C23H29NO7
SMILES: C/C(=CCc1c(O)cc2c(c1O)CN(C2=O)[C@H](C(=O)O)C(C)C)/CC/C=C(/C(=O)O)C
InChI: InChI=1S/C23H29NO7/c1-12(2)19(23(30)31)24-11-17-16(21(24)27)10-18(25)15(20(17)26)9-8-13(3)6-5-7-14(4)22(28)29/h7-8,10,12,19,25-26H,5-6,9,11H2,1-4H3,(H,28,29)(H,30,31)/b13-8+,14-7+/t19-/m0/s1
InChIKey: WZPQGZXKERSUDY-BMIBEWIESA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1NCc2ccccc21

Scaffold Graph/Node level:
OC1NCC2CCCCC21

Scaffold Graph level:
CC1CCC2CCCCC12

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Chemical classification

Kingdom: Organic compounds
Super class: Organic acids and derivatives
Class: Carboxylic acids and derivatives
Sub class: Amino acids, peptides, and analogues

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Synonymous chemical names:
erinacerin e

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External chemical identifiers:
CID_101910491; NPATLAS_NPA007427; CHEMSPIDER_58989755; ZINC_ZINC000299870872

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Chemical structure download