Basic information
- CAS
126103-94-4- Standard SMILES
CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CC(C)(C)C)C(C)C)C(=O)NCc1ccccn1- InChIKey
RLQUQIUJPBZNMI-NFWZRYHXSA-N- Molecular formula
- C33H56N4O4
- Average molar mass
- 572.8 g/mol
- Monoisotopic mass
- 572.43015628
Names & identifiers
- Preferred name
- (2S,4S,5S)-6-cyclohexyl-5-(3,3-dimethylbutanoylamino)-4-hydroxy-2-isopropyl-N-[(1S,2S)-2-methyl-1-(2-pyridylmethylcarbamoyl)butyl]hexanamide
- IUPAC
- (2S,4S,5S)-6-cyclohexyl-5-(3,3-dimethylbutanoylamino)-4-hydroxy-N-[(2S,3S)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]-2-propan-2-ylhexanamide
Names & synonyms
(2S,4S,5S)-6-cyclohexyl-5-(3,3-dimethylbutanoylamino)-4-hydroxy-2-isopropyl-N-[(1S,2S)-2-methyl-1-(2-pyridylmethylcarbamoyl)butyl]hexanamideU-81749ETBA-CVA-Ile-AmpTba-Cha-.psi.[CH(OH)CH2]-Val-Ile-Amp(2S,4S,5S)-6-Cyclohexyl-5-(3,3-dimethyl-butanoylamino)-4-hydroxy-2-isopropylhexanoic acid {(1S,2S)-2-methyl-1-[(pyridin-2-ylmethyl)-carbamoyl]butyl}-amide(2S,4S,5S)-6-cyclohexyl-5-(3,3-dimethylbutanoylamino)-4-hydroxy-N-[(2S,3S)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]-2-propan-2-ylhexanamideCyclohexanehexamide, .delta.-[(3,3-dimethyl-1-oxobutyl)amino]-.gamma.-hydroxy-.alpha.-(1-methylethyl)-N-[2-methyl-1-[[(2-pyridinylmethyl)amino]carbonyl]butyl]
Database identifiers
- CAS
126103-94-4- PubChem CID
- 451652
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 16
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 806
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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