HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Compound

2-[[3-[[3-[(Carboxymethylamino)methyl]-4-hydroxy-5-methylphenyl]-phenylmethylidene]-5-methyl-6-oxocyclohexa-1,4-dien-1-yl]methylamino]acetic acid

HCID 340756
New noteNew reactionRequest quotes
Print preview
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC1=CC(=C(c2ccccc2)c2cc(C)c(O)c(CNCC(=O)O)c2)C=C(CNCC(=O)O)C1=O
InChIKey
MKZVCUQQCIHRTB-UHFFFAOYSA-N
Molecular formula
C27H28N2O6
Average molar mass
476.5 g/mol
Monoisotopic mass
476.19473662

Names & identifiers

Preferred name
2-[[3-[[3-[(Carboxymethylamino)methyl]-4-hydroxy-5-methylphenyl]-phenylmethylidene]-5-methyl-6-oxocyclohexa-1,4-dien-1-yl]methylamino]acetic acid
IUPAC
2-[[3-[[3-[(carboxymethylamino)methyl]-4-hydroxy-5-methylphenyl]-phenylmethylidene]-5-methyl-6-oxocyclohexa-1,4-dien-1-yl]methylamino]acetic acid

Database identifiers

PubChem CID
340756

Properties

Computed structural properties

XLogP
-0.6
Topological polar surface area
136 Ų
Hydrogen bond donors
5
Hydrogen bond acceptors
8
Rotatable bonds
10
Heavy atoms
35
Formal charge
0
Complexity
899

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes
More actions
New noteNew reactionRequest quotes