Basic information
- CAS
22862-64-2- Standard SMILES
CCC(C)C1OC(=O)C(C)(C)C(O)C(Cc2ccccc2)OC(=O)C(C(C)C)OC(=O)C(NC(=O)c2cccc(NC=O)c2OC)C(C)OC1=O- InChIKey
MGPKGXHFCPPKBE-UHFFFAOYSA-N- Molecular formula
- C37H48N2O12
- Average molar mass
- 712.8 g/mol
- Monoisotopic mass
- 712.32072497
Names & identifiers
- Preferred name
- o-Anisamide, N-(15-benzyl-10-sec-butyl-14-hydroxy-3-isopropyl-7,13,13-trimethyl-2,5,9,12-tetraoxo-1,4,8,11-tetraoxacyclopentadec-6-yl)-3-formamido-
- IUPAC
- N-(15-benzyl-10-butan-2-yl-14-hydroxy-7,13,13-trimethyl-2,5,9,12-tetraoxo-3-propan-2-yl-1,4,8,11-tetraoxacyclopentadec-6-yl)-3-formamido-2-methoxybenzamide
- English name
- N-(15-Benzyl-10-sec-butyl-14-hydroxy-3-isopropyl-7,13,13-trimethyl-2,5,9,12-tetraoxo-1,4,8,11-tetraoxacyclopentadecan-6-yl)-3-formylamino-2-methoxybenzamide
- Molecular weight
- 0
Names & synonyms
22862-64-2Neoantimycin, methyl estero-Anisamide, N-(15-benzyl-10-sec-butyl-14-hydroxy-3-isopropyl-7,13,13-trimethyl-2,5,9,12-tetraoxo-1,4,8,11-tetraoxacyclopentadec-6-yl)-3-formamido-DTXSID10345015MGPKGXHFCPPKBE-UHFFFAOYSA-NN-(15-Benzyl-10-sec-butyl-14-hydroxy-3-isopropyl-7,13,13-trimethyl-2,5,9,12-tetraoxo-1,4,8,11-tetraoxacyclopentadecan-6-yl)-3-formylamino-2-methoxybenzamideN-[15-Benzyl-10-(butan-2-yl)-14-hydroxy-7,13,13-trimethyl-2,5,9,12-tetraoxo-3-(propan-2-yl)-1,4,8,11-tetraoxacyclopentadecan-6-yl]-3-formamido-2-methoxybenzamideNeoantimycin methyl ester
Database identifiers
- CAS
22862-64-2- PubChem CID
- 601155
- DTXSID
DTXSID10345015
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 193 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 9
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,220
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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