Summary

IMPPAT Phytochemical identifier: IMPHY005141

Phytochemical name: Asperphenamate

Synonymous chemical names:
asperphenamate, auranamide

External chemical identifiers:
CID:173952, ChEMBL:CHEMBL496238, ChEBI:145105, ZINC:ZINC000005640039, MolPort-005-944-018

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Chemical structure information

SMILES:
O=C([C@@H](NC(=O)c1ccccc1)Cc1ccccc1)OC[C@@H](NC(=O)c1ccccc1)Cc1ccccc1

InChI:
InChI=1S/C32H30N2O4/c35-30(26-17-9-3-10-18-26)33-28(21-24-13-5-1-6-14-24)23-38-32(37)29(22-25-15-7-2-8-16-25)34-31(36)27-19-11-4-12-20-27/h1-20,28-29H,21-23H2,(H,33,35)(H,34,36)/t28-,29-/m0/s1

InChIKey:
CVULDJMCSSACEO-VMPREFPWSA-N

DeepSMILES:
O=C[C@@H]NC=O)cccccc6))))))))Ccccccc6))))))))OC[C@@H]NC=O)cccccc6))))))))Ccccccc6

Functional groups:
COC(C)=O, cC(=O)NC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(NC(COC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1)Cc1ccccc1)c1ccccc1

Scaffold Graph/Node level:
OC(NC(COC(O)C(CC1CCCCC1)NC(O)C1CCCCC1)CC1CCCCC1)C1CCCCC1

Scaffold Graph level:
CC(CC(CCC(C)C(CC1CCCCC1)CC(C)C1CCCCC1)CC1CCCCC1)C1CCCCC1

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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-Likeness score: -0.142

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Chemical structure download