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Basic information
- Standard SMILES
COC(=O)[C@H](CCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(C)cc1)N(CC(C)C)S(=O)(=O)c1ccc(C)cc1- InChIKey
KDDJMRASDNUVJO-HEVIKAOCSA-N- Molecular formula
- C36H46N4O7S2
- Average molar mass
- 710.9 g/mol
Names & identifiers
- Preferred name
- methyl (2S)-6-[[(2S)-3-(1H-indol-3-yl)-2-(p-tolylsulfonylamino)propanoyl]amino]-2-[isobutyl(p-tolylsulfonyl)amino]hexanoate
- IUPAC
- methyl (2S)-6-[[(2S)-3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexanoate
Names & synonyms
KDDJMRASDNUVJO-HEVIKAOCSA-Nmethyl (2S)-6-[[(2S)-3-(1H-indol-3-yl)-2-(p-tolylsulfonylamino)propanoyl]amino]-2-[isobutyl(p-tolylsulfonyl)amino]hexanoateN.alpha.-isobutyl-N.alpha.-(4-methylbenzenesulfonyl)-N.epsilon.-[N'.alpha.-(4-methylbenzenesulfonyl)-L-tryptophanyl]-L-lysine methyl esterNalpha-Isobutyl-Nalpha-(4-methylbenzenesulfonyl)-Nepsilon-[N'alpha-(4-methylbenzenesulfonyl)-L-tryptophanyl]-L-lysine Methyl Ester
Database identifiers
- PubChem CID
- 508592
Properties
Computed structural propertiesFilling in
- XLogP
- 6.3
- Topological polar surface area
- 172 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 18
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,270
Related reactions
3 records
Compound notes
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