(2S,3R,4S,5S)-2,5-Bis-(N-(N-((N-methyl-N-((2-((((t-butyl)oxy)carbonyl)amino)-4-thiazolyl)methyl)amino)carbonyl)valinyl)amino)-3,4-dihydroxy-1,6-diphenylhexane
Basic information
- Standard SMILES
CC(C)[C@H](NC(=O)N(C)Cc1csc(NC(=O)OC(C)(C)C)n1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)N(C)Cc1csc(NC(=O)OC(C)(C)C)n1)C(C)C- InChIKey
AHSNCXWWIWVEDP-BYAJYZPISA-N- Molecular formula
- C50H72N10O10S2
- Average molar mass
- 1,037.3 g/mol
Names & identifiers
- Preferred name
- (2S,3R,4S,5S)-2,5-Bis-(N-(N-((N-methyl-N-((2-((((t-butyl)oxy)carbonyl)amino)-4-thiazolyl)methyl)amino)carbonyl)valinyl)amino)-3,4-dihydroxy-1,6-diphenylhexane
- IUPAC
- tert-butyl N-[4-[[[(2S)-1-[[(2S,3S,4R,5S)-3,4-dihydroxy-5-[[(2S)-3-methyl-2-[[methyl-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl-methylamino]methyl]-1,3-thiazol-2-yl]carbamate
Names & synonyms
SCHEMBL7331862AHSNCXWWIWVEDP-BYAJYZPISA-N(2S,3R,4S,5S)-2,5-Bis- (N-(N-((N-methyl-N-((2-((((t-butyl)oxy)carbonyl)amino)-4-thiazolyl)methyl)amino)carbonyl)valinyl)amino)-3,4-dihydroxy-1,6-diphenylhexane(2S,3R,4S,5S)-2,5-Bis-(N-(N-((N-methyl-N-((2-((((t-butyl)oxy)carbonyl)amino)-4-thiazolyl)methyl)amino)carbonyl)valinyl)amino)-3,4-dihydroxy-1,6-diphenylhexane(2S,3R,4S,5S)-2,5-Bis-(N-(N-((N-methyl-N-((2-((((t-butyl)oxy)carbonyl)amino)-4-thiazolyl)methyl)amino)carbonyl)valinyl)amino)-3,4-dihydroxy-1.6-diphenylhexane
Database identifiers
- PubChem CID
- 18655498
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 322 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 25
- Heavy atoms
- 72
- Formal charge
- 0
- Complexity
- 1,640
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Related reactions
7 records
Compound notes
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