Basic information
- Standard SMILES
CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)O- InChIKey
NCXPAFCSVPEECI-MBIABMFDSA-N- Molecular formula
- C26H44N2O5S
- Average molar mass
- 496.7 g/mol
- Monoisotopic mass
- 496.29709368
Names & identifiers
- Preferred name
- (6S,9R,13E,17E)-2,2,6,14,18,22-hexamethyl-4,7-dioxo-3-oxa-11-thia-5,8-diazatricosa-13,17,21-triene-9-carboxylic acid
- IUPAC
- (2R)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylpropanoic acid
Names & synonyms
SCHEMBL3419316NCXPAFCSVPEECI-MBIABMFDSA-N(6S,9R,13E,17E)-2,2,6,14,18,22-hexamethyl-4,7-dioxo-3-oxa-11-thia-5,8-diazatricosa-13,17,21-triene-9-carboxylic acid
Database identifiers
- PubChem CID
- 46207471
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 16
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 762
Related reactions
2 records
Compound notes
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