N-[(2S,3R,4S)-1-Cyclohexyl-4-cyclopropyl-3,4-dihydroxy-2-butanyl]-NI+/--{3-[(2-methyl-2-propanyl)sulfonyl]-2-(1-naphthylmethyl)propanoyl}-L-histidinamide
Basic information
- Standard SMILES
CC(C)(C)S(=O)(=O)CC(Cc1cccc2ccccc12)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1- InChIKey
WKOSWTKYSVRRSD-FRCPIUIISA-N- Molecular formula
- C37H52N4O6S
- Average molar mass
- 680.9 g/mol
- Monoisotopic mass
- 680.36075656
Names & identifiers
- Preferred name
- N-[(2S,3R,4S)-1-Cyclohexyl-4-cyclopropyl-3,4-dihydroxy-2-butanyl]-NI+/--{3-[(2-methyl-2-propanyl)sulfonyl]-2-(1-naphthylmethyl)propanoyl}-L-histidinamide
- IUPAC
- 2-(tert-butylsulfonylmethyl)-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-3-naphthalen-1-ylpropanamide
Names & synonyms
DTXSID301026094N-[(2S,3R,4S)-1-Cyclohexyl-4-cyclopropyl-3,4-dihydroxy-2-butanyl]-NI+/--{3-[(2-methyl-2-propanyl)sulfonyl]-2-(1-naphthylmethyl)propanoyl}-L-histidinamide
Database identifiers
- PubChem CID
- 10101079
- DTXSID
DTXSID301026094
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 170 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 16
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,160
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Compound notes
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