Basic information
- CAS
134458-79-0- Standard SMILES
CC[C@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)CC1CCCCC1)C(=O)NCc1ccccn1- InChIKey
DVFOMRWKCHJPKR-JTBAOHSFSA-N- Molecular formula
- C35H58N4O5
- Average molar mass
- 614.9 g/mol
- Monoisotopic mass
- 614.44072096
Names & identifiers
- Preferred name
- L-Idonamide, 6-cyclohexyl-5-((cyclohexylacetyl)amino)-2,5,6-trideoxy-2-(1-methylethyl)-N-(2-methyl-1-(((2-pyridinylmethyl)amino)carbonyl)butyl)-, (S-(R*,R*))-
- IUPAC
- (2R,3R,4R,5S)-6-cyclohexyl-5-[(2-cyclohexylacetyl)amino]-3,4-dihydroxy-N-[(2S,3S)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]-2-propan-2-ylhexanamide
Names & synonyms
134458-79-0Cha-Cha-psi(CH(OH)CH(OH))-Val-Ile-AmpL-Idonamide, 6-cyclohexyl-5-((cyclohexylacetyl)amino)-2,5,6-trideoxy-2-(1-methylethyl)-N-(2-methyl-1-(((2-pyridinylmethyl)amino)carbonyl)butyl)-, (S-(R*,R*))-CHEMBL3085447L-Idonamide, 6-cyclohexyl-5-[(cyclohexylacetyl)amino]-2,5,6-trideoxy-2-(1-methylethyl)-N-[2-methyl-1-[[(2-pyridinylmethyl)amino]carbonyl]butyl]-, [S-(R*,R*)]-DTXSID90158721BDBM50453058Cha-Cha-.psi.[CH(OH)CH(OH)]-Val-Ile-Amp(2R,3R,4R,5S)-6-Cyclohexyl-5-(2-cyclohexylacetamido)-3,4-dihydroxy-N-[(2S,3S)-3-methyl-1-oxo-1-{[(pyridin-2-yl)methyl]amino}pentan-2-yl]-2-(propan-2-yl)hexanamide(2R,3R,4R,5S)-6-cyclohexyl-5-[(2-cyclohexylacetyl)amino]-3,4-dihydroxy-2-isopropyl-N-[(1S,2S)-2-methyl-1-(2-pyridylmethylcarbamoyl)butyl]hexanamide
Database identifiers
- CAS
134458-79-0- PubChem CID
- 5479260
- DTXSID
DTXSID90158721- ChEMBL
CHEMBL3085447
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 16
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 873
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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