Basic information
- Standard SMILES
NCc1ccc(COc2nc(N)nc3[nH]c(CCC(N)C(=O)CCCCCNC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@@H]54)nc23)cc1- InChIKey
VJTMBZFPIIYTGU-CCFYCYNUSA-N- Molecular formula
- C32H46N10O4S
- Average molar mass
- 666.8 g/mol
- Monoisotopic mass
- 666.34242116
Names & identifiers
- Preferred name
- 4-(2-Amino-8-(3-(n-(+)-biotinyl-6-aminocaproyl)-aminopropyl)-9h-purin-6-yloxymethyl)-benzyl-amine
- IUPAC
- 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[7-amino-9-[2-amino-6-[[4-(aminomethyl)phenyl]methoxy]-7H-purin-8-yl]-6-oxononyl]pentanamide
Names & synonyms
VJTMBZFPIIYTGU-CCFYCYNUSA-N4-(2-amino-8-(3-(n-(+)-biotinyl-6-aminocaproyl)-aminopropyl)-9h-purin-6-yloxymethyl)-benzyl-amine
Database identifiers
- PubChem CID
- 131729649
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 254 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 19
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,020
Related reactions
1 records
Compound notes
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