Basic information
- CAS
69639-47-0- Standard SMILES
C=C(C(=O)N(C)[C@@](C=O)(CC(C)C)C(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@H](C)CC)[C@H](C)O)[C@H](O)CCCCCCCC- InChIKey
BINCSGXJKYDHCL-GUOYJVKZSA-N- Molecular formula
- C34H61N5O9
- Average molar mass
- 683.9 g/mol
- Monoisotopic mass
- 683.44692854
Names & identifiers
- Preferred name
- Glycine, N-(N-(N-(N-(N-(3-hydroxy-2-methyl-1-oxoundecyl)-N-methyl-L-leucyl)-L-alloisoleucyl)-L-seryl)-L-allothreonyl)-, rho-lactone
- IUPAC
- (3R)-N-[(3R)-1-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-formyl-5-methyl-2-oxohexan-3-yl]-3-hydroxy-N-methyl-2-methylideneundecanamide
- English name
- Cyclo[Gly-3-hydroxy*-2-methyl-1-oxoundecyl-N-methyl-L-Leu-L-aIle-L-Ser-L-aThr-]
- Molecular formula
- C34H61N5O9
- Molecular weight
- 683.88
Names & synonyms
Antibiotic SF 1902A5SF-1902A5Glycine, N-(N-(N-(N-(N-(3-hydroxy-2-methyl-1-oxoundecyl)-N-methyl-L-leucyl)-L-alloisoleucyl)-L-seryl)-L-allothreonyl)-, rho-lactoneDTXSID7021990069639-47-0RefChem:346531DTXCID80142391SCHEMBL29884919L-Alloisoleucyl-L-seryl-N-{(3R)-3-formyl-3-[(3R)-3-hydroxy-N-methyl-2-methylideneundecanamido]-5-methyl-2-oxohexyl}-L-allothreoninamideAntibiotic SF-1902A5Cyclo[Gly-3-hydroxy*-2-methyl-1-oxoundecyl-N-methyl-L-Leu-L-aIle-L-Ser-L-aThr-]Cyclo[L-alloisoleucyl-L-seryl-L-allothreonylglycyl-(2R,3R)-3-hydroxy-2-methylundecanoyl-N-methyl-L-leucyl]
Show more names
(3R)-N-[(3R)-1-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-formyl-5-methyl-2-oxohexan-3-yl]-3-hydroxy-N-methyl-2-methylideneundecanamide
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 228 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 25
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,090
Physicochemical properties
- Melting point
- 100 · 100-102 °C
- Boiling point
- 994 · 994.0±65.0 °C(Predicted)
- Density
- 1.051 · 1.051±0.06 g/cm3(Predicted)
- pka
- 12.79 · 12.79±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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