(2S,3S,5S)-2-(N-(N-(2-(6-Methylpyridinyl)methoxycarbonyl)valinyl)amino)-5-(N-((3-furyl)methoxycarbonyl)amino)-1,6-diphenyl-3-hydroxyhexane
Basic information
- Standard SMILES
Cc1cccc(COC(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C[C@@H](Cc2ccccc2)NC(=O)OCc2ccco2)C(C)C)n1- InChIKey
LYYZAFAXZLFIST-ZQTBNDFDSA-N- Molecular formula
- C37H44N4O7
- Average molar mass
- 656.8 g/mol
Names & identifiers
- Preferred name
- (2S,3S,5S)-2-(N-(N-(2-(6-Methylpyridinyl)methoxycarbonyl)valinyl)amino)-5-(N-((3-furyl)methoxycarbonyl)amino)-1,6-diphenyl-3-hydroxyhexane
- IUPAC
- (6-methyl-2-pyridinyl)methyl N-[(2S)-1-[[(2S,3S,5R)-5-(furan-2-ylmethoxycarbonylamino)-3-hydroxy-1,6-diphenylhexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
Names & synonyms
(2S,3S,5S)-2-(N-(N-(2-(6-Methylpyridinyl)methoxycarbonyl)valinyl)amino)-5-(N-((3-furyl)methoxycarbonyl)amino)-1,6-diphenyl-3-hydroxyhexaneLYYZAFAXZLFIST-ZQTBNDFDSA-N(2S, 3S, 5S)-2-(N-(N-(2-(6-Methylpyridinyl)methoxycarbonyl)valinyl)amino)-5-(N-((3-furyl)methoxycarbonyl)amino)-1,6-diphenyl-3-hydroxyhexane(6-methyl-2-pyridyl)methyl N-[(1S)-1-[[(1S,2S,4R)-1-benzyl-4-(2-furylmethoxycarbonylamino)-2-hydroxy-5-phenyl-pentyl]carbamoyl]-2-methyl-propyl]carbamate
Database identifiers
- PubChem CID
- 471608
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 18
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 971
Related reactions
5 records
Compound notes
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