N-[1-[[4-amino-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-3-(1-hydroxyethyl)-12,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-6-methyloctanamide;hydrochloride
Basic information
- CAS
51868-12-3- Standard SMILES
CCC(C)CCCCC(=O)NC(C(=O)NC(CCN)C(=O)NC1CCNC(=O)C(C(C)O)NC(=O)C(CCN)NC(=O)C(CCN)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCN)NC1=O)C(C)O.Cl- InChIKey
AHHPSEIGPIYKJR-UHFFFAOYSA-N- Molecular formula
- C49H93ClN14O12
- Average molar mass
- 1,105.8 g/mol
- Monoisotopic mass
- 1,104.6785922
Names & identifiers
- Preferred name
- N-[1-[[4-amino-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-3-(1-hydroxyethyl)-12,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-6-methyloctanamide;hydrochloride
- IUPAC
- N-[1-[[4-amino-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-3-(1-hydroxyethyl)-12,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-6-methyloctanamide;hydrochloride
Names & synonyms
51868-12-3
Database identifiers
- CAS
51868-12-3- PubChem CID
- 3040243
Properties
Computed structural properties
- Topological polar surface area
- 436 Ų
- Hydrogen bond donors
- 17
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 25
- Heavy atoms
- 76
- Formal charge
- 0
- Complexity
- 1,860
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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