Mycoplanecin A, dihydro-
Basic information
- CAS
79003-68-2- Standard SMILES
CCC1C[C@@H](C(=O)N(C)[C@@H]2C(=O)N[C@@H](CC(C)C)C(=O)N3CC(C)C[C@H]3C(=O)N[C@@H](CCC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)[C@H](CC(C)C)C(=O)NCC(=O)O[C@@H]2C)N(C(=O)[C@H](C(C)C)N(C)C(=O)C(O)CC)C1- InChIKey
FKXYYGSDGSWQIM-MCVTUQHGSA-N- Molecular formula
- C61H104N10O13
- Average molar mass
- 1,185.5 g/mol
- Monoisotopic mass
- 1,184.77843341
Names & identifiers
- Preferred name
- Mycoplanecin A, dihydro-
- IUPAC
- (2S)-4-ethyl-1-[(2S)-2-[2-hydroxybutanoyl(methyl)amino]-3-methylbutanoyl]-N-methyl-N-[(3S,6S,9S,15S,18S,19R,25R,28S)-4,11,19,26-tetramethyl-6-(3-methylbutyl)-15,25-bis(2-methylpropyl)-2,5,8,14,17,21,24,27-octaoxo-3-propan-2-yl-20-oxa-1,4,7,13,16,23,26-heptazatricyclo[26.3.0.09,13]hentriacontan-18-yl]pyrrolidine-2-carboxamide
Names & synonyms
Mycoplanecin A, dihydro-UNII-60WDF8E67TDihydromycoplanecin-A(2S)-4-ethyl-1-[(2S)-2-[2-hydroxybutanoyl(methyl)amino]-3-methylbutanoyl]-N-methyl-N-[(3S,6S,9S,15S,18S,19R,25R,28S)-4,11,19,26-tetramethyl-6-(3-methylbutyl)-15,25-bis(2-methylpropyl)-2,5,8,14,17,21,24,27-octaoxo-3-propan-2-yl-20-oxa-1,4,7,13,16,23,26-heptazatricyclo[26.3.0.09,13]hentriacontan-18-yl]pyrrolidine-2-carboxamide(2S)-N-(diisobutyl-isopentyl-isopropyl-tetramethyl-octaoxo-[?]yl)-4-ethyl-1-[(2S)-2-[2-hydroxybutanoyl(methyl)amino]-3-methyl-butanoyl]-N-methyl-pyrrolidine-2-carboxamide
Database identifiers
- CAS
79003-68-2- PubChem CID
- 73367
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 276 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 16
- Heavy atoms
- 84
- Formal charge
- 0
- Complexity
- 2,370
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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