4-Acetoxy-3,5-bis[N,N-bis(t-butoxycarbonylmethyl)aminomethyl]-3'-carboxybenzophenone

HCID 14405513
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Basic information

Standard SMILES
CC(=O)Oc1c(CN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)cc(C(=O)c2cccc(C(=O)O)c2)cc1CN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C
InChIKey
YTFTWKFEJGLSCZ-UHFFFAOYSA-N
Molecular formula
C42H58N2O13
Average molar mass
798.9 g/mol

Names & identifiers

Preferred name
4-Acetoxy-3,5-bis[N,N-bis(t-butoxycarbonylmethyl)aminomethyl]-3'-carboxybenzophenone
IUPAC
3-[4-acetyloxy-3,5-bis[[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]benzoyl]benzoic acid

Names & synonyms

SCHEMBL10556002YTFTWKFEJGLSCZ-UHFFFAOYSA-N4-Acetoxy-3,5-bis[N,N-bis(t-butoxycarbonylmethyl)aminomethyl]-3'-carboxybenzophenone

Database identifiers

PubChem CID
14405513

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
192 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
15
Rotatable bonds
25
Heavy atoms
57

Related reactions

3 records
New reaction record

Linked notes

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