Glycine, N-(N-(N-(N-(N-(3-hydroxy-2-methyl-1-oxodecyl)-N-methyl-L-leucyl)-L-alloisoleucyl)-L-seryl)-L-allothreonyl)-, rho-lactone
Basic information
- CAS
80458-07-7- Standard SMILES
CCCC/C=C/CC(=O)C(C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)NCCO)[C@H](C)O)[C@H](C)CC- InChIKey
PKTVXHXGKXMJDY-TZJSNGEMSA-N- Molecular formula
- C33H59N5O9
- Average molar mass
- 669.8 g/mol
- Monoisotopic mass
- 669.43127848
Names & identifiers
- Preferred name
- Glycine, N-(N-(N-(N-(N-(3-hydroxy-2-methyl-1-oxodecyl)-N-methyl-L-leucyl)-L-alloisoleucyl)-L-seryl)-L-allothreonyl)-, rho-lactone
- IUPAC
- (E)-N-[(2S)-1-[[(2S,3R)-1-[[(2S)-3-hydroxy-1-[[(2S,3S)-3-hydroxy-1-(2-hydroxyethylamino)-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-N,2-dimethyl-3-oxodec-5-enamide
Names & synonyms
80458-07-7Glycine, N-(N-(N-(N-(N-(3-hydroxy-2-methyl-1-oxodecyl)-N-methyl-L-leucyl)-L-alloisoleucyl)-L-seryl)-L-allothreonyl)-, rho-lactoneRefChem:1086043Antibiotic SF 1902A4aSF-1902A4aSCHEMBL29885831
Database identifiers
- CAS
80458-07-7- PubChem CID
- 6447693
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 214 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 23
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,050
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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