Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)[C@H](CC2C=Nc3ccccc32)NC(=O)OC(C)(C)C)C(=O)O)cc1- InChIKey
LBVZGTWVCHJYTH-UTARDKEYSA-N- Molecular formula
- C33H46N4O7S
- Average molar mass
- 642.8 g/mol
- Monoisotopic mass
- 642.30872099
Names & identifiers
- Preferred name
- (2S)-6-[[(2S)-2-(tert-butoxycarbonylamino)-3-(3H-indol-3-yl)propanoyl]amino]-2-[isobutyl(p-tolylsulfonyl)amino]hexanoic acid
- IUPAC
- (2S)-6-[[(2S)-3-(3H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexanoic acid
Names & synonyms
LBVZGTWVCHJYTH-UTARDKEYSA-N(2S)-6-[[(2S)-2-(tert-butoxycarbonylamino)-3-(3H-indol-3-yl)propanoyl]amino]-2-[isobutyl(p-tolylsulfonyl)amino]hexanoic acidN.alpha.-isobutyl-N.alpha.-(4-methylbenzenesulfonyl)-N.epsilon.-(N'.alpha.-tert-butoxycarbonyl-L-tryptophanyl)-L-lysineNalpha-isobutyl-Nalpha-(4-methylbenzenesulfonyl)-Nepsilon-(N'alpha-tert-butoxycarbonyl-L-tryptophanyl)-L-lysine
Database identifiers
- PubChem CID
- 508607
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 17
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,120
Related reactions
5 records
Linked notes
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