(3S,6S,9S,16S,19S)-6-benzyl-16-[(2S)-butan-2-yl]-7,12,17-trimethyl-13-pent-4-enyl-3,9-di(propan-2-yl)-4,14-dioxa-1,7,10,17-tetrazabicyclo[17.3.0]docosane-2,5,8,11,15,18-hexone
Basic information
- Standard SMILES
C=CCCCC1OC(=O)[C@H]([C@@H](C)CC)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)NC(=O)C1C- InChIKey
LZACOZXZESEOFK-JAJYPZONSA-N- Molecular formula
- C41H62N4O8
- Average molar mass
- 739 g/mol
- Monoisotopic mass
- 738.45676495
Names & identifiers
- Preferred name
- (3S,6S,9S,16S,19S)-6-benzyl-16-[(2S)-butan-2-yl]-7,12,17-trimethyl-13-pent-4-enyl-3,9-di(propan-2-yl)-4,14-dioxa-1,7,10,17-tetrazabicyclo[17.3.0]docosane-2,5,8,11,15,18-hexone
- IUPAC
- (3S,6S,9S,16S,19S)-6-benzyl-16-[(2S)-butan-2-yl]-7,12,17-trimethyl-13-pent-4-enyl-3,9-di(propan-2-yl)-4,14-dioxa-1,7,10,17-tetrazabicyclo[17.3.0]docosane-2,5,8,11,15,18-hexone
Names & synonyms
SCHEMBL4269279DTXSID901046537
Database identifiers
- PubChem CID
- 10876367
- DTXSID
DTXSID901046537
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 1,300
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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