Basic information
- Standard SMILES
CC(C)[C@H](NC(=O)N(C)Cc1csc(N)n1)C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)N(C)Cc1csc(N)n1)C(C)C- InChIKey
PTAMYBAIICKXLP-KMACTHOASA-N- Molecular formula
- C40H56N10O5S2
- Average molar mass
- 821.1 g/mol
Names & identifiers
- Preferred name
- (2S,3S,5S)-2,5-Bis-(N-(N-((N-methyl-N-((2-amino-4-thiazolyl)methyl)amino)carbonyl)valinyl)amino)-1,6-diphenyl-3-hydroxyhexane
- IUPAC
- (2S)-2-[[(2-amino-1,3-thiazol-4-yl)methyl-methylcarbamoyl]amino]-N-[(2S,4S,5S)-5-[[(2S)-2-[[(2-amino-1,3-thiazol-4-yl)methyl-methylcarbamoyl]amino]-3-methylbutanoyl]amino]-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methylbutanamide
Names & synonyms
SCHEMBL7310977PTAMYBAIICKXLP-KMACTHOASA-N(2S,3S,5S)-2,5-Bis-(N-(N-((N-methyl-N-((2-amino-4-thiazolyl)methyl)amino)carbonyl)valinyl)amino)-1,6-diphenyl-3-hydroxyhexane
Database identifiers
- PubChem CID
- 18655552
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 277 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 19
- Heavy atoms
- 57
- Formal charge
- 0
- Complexity
- 1,270
Related reactions
5 records
Compound notes
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