(1S,5S)-(1-{5-[(4-Amino-benzenesulfonyl)-isobutyl-amino]-6-hydroxy-hexylcarbamoyl}-2-naphthalen-2-yl-ethyl)-carbamic Acid Methyl Ester
Basic information
- Standard SMILES
COC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1- InChIKey
DRDQKOKQQIVXRZ-YTMVLYRLSA-N- Molecular formula
- C31H42N4O6S
- Average molar mass
- 598.8 g/mol
- Monoisotopic mass
- 598.28250625
Names & identifiers
- Preferred name
- (1S,5S)-(1-{5-[(4-Amino-benzenesulfonyl)-isobutyl-amino]-6-hydroxy-hexylcarbamoyl}-2-naphthalen-2-yl-ethyl)-carbamic Acid Methyl Ester
- IUPAC
- methyl N-[(2S)-1-[[(5S)-5-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-hydroxyhexyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate
Names & synonyms
SCHEMBL2781159SCHEMBL29988081DRDQKOKQQIVXRZ-YTMVLYRLSA-NMX-70(1S,5S)-(1-{5-[(4-Amino-benzenesulfonyl)-isobutyl-amino]-6-hydroxy-hexylcarbamoyl}-2-naphthalen-2-yl-ethyl)-carbamic Acid Methyl EsterCarbamic acid, [(1S)-2-[[(5S)-5-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-6-hydroxyhexyl]amino]-1-(2-naphthalenylmethyl)-2-oxoethyl]-, methyl estermethyl N-[(1S)-2-[[(5S)-5-[(4-aminophenyl)sulfonyl-isobutyl-amino]-6-hydroxy-hexyl]amino]-1-(2-naphthylmethyl)-2-oxo-ethyl]carbamate
Database identifiers
- PubChem CID
- 513951
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 159 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 16
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 934
Related reactions
1 records
Compound notes
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