Basic information
- Standard SMILES
Cn1ncc(CN(CCNC(c2ccccc2)(c2ccccc2)c2ccccc2)C(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)c1N- InChIKey
VXMZANCVXCVRBJ-UHFFFAOYSA-N- Molecular formula
- C37H47N7O4
- Average molar mass
- 653.8 g/mol
Names & identifiers
- Preferred name
- N-[(5-amino-1-methyl-1H-pyrazol-4-yl)methyl]-N',N''-bis(tert-butoxycarbonyl)-N-[2-(tritylamino)ethyl]guanidine
- IUPAC
- tert-butyl N-[N-[(5-amino-1-methylpyrazol-4-yl)methyl]-N'-[(2-methylpropan-2-yl)oxycarbonyl]-N-[2-(tritylamino)ethyl]carbamimidoyl]carbamate
Names & synonyms
SCHEMBL3121345SCHEMBL3121350VXMZANCVXCVRBJ-UHFFFAOYSA-NN-[(5-amino-1-methyl-1H-pyrazol-4-yl)methyl]-N',N''-bis(tert-butoxycarbonyl)-N-[2-(tritylamino)ethyl]guanidine
Database identifiers
- PubChem CID
- 68519459
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 15
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,010
Related reactions
3 records
Compound notes
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