Summary

Molecular formula: C43H52N2O12
SMILES: COC(=O)[C@H](N1Cc2c(C1=O)cc(c(c2O)C/C=C(/CC/C=C(/C(=O)O)C)C)O)CCCCN1Cc2c(C1=O)cc(c(c2O)C/C=C(/CC/C=C(/C(=O)O)C)C)O
InChI: InChI=1S/C43H52N2O12/c1-24(10-8-12-26(3)41(52)53)15-17-28-35(46)20-30-32(37(28)48)22-44(39(30)50)19-7-6-14-34(43(56)57-5)45-23-33-31(40(45)51)21-36(47)29(38(33)49)18-16-25(2)11-9-13-27(4)42(54)55/h12-13,15-16,20-21,34,46-49H,6-11,14,17-19,22-23H2,1-5H3,(H,52,53)(H,54,55)/b24-15+,25-16+,26-12+,27-13+/t34-/m1/s1
InChIKey: OVAMCBRSHMHOFE-URTODDBRSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1c2ccccc2CN1CCCCCN1Cc2ccccc2C1=O

Scaffold Graph/Node level:
OC1C2CCCCC2CN1CCCCCN1CC2CCCCC2C1O

Scaffold Graph level:
CC1C(CCCCCC2CC3CCCCC3C2C)CC2CCCCC21

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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:
caputmedusin b

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Chemical structure download