Basic information
- CAS
40290-20-8- Standard SMILES
CCCC1NC(=O)C2Cc3c([nH]c4ccccc34)SCC(NC(=O)C(C(C)O)NC(=O)C(C)NC1=O)C(=O)N1CCCC1C(=O)NC(C)C(=O)N2- InChIKey
GEZAJGFOPRFKLC-UHFFFAOYSA-N- Molecular formula
- C34H46N8O8S
- Average molar mass
- 726.8 g/mol
- Monoisotopic mass
- 726.31593163
Names & identifiers
- Preferred name
- Pro-4-norphalloin
- IUPAC
- 34-(1-hydroxyethyl)-23,31-dimethyl-28-propyl-12-thia-10,16,22,25,27,30,33,36-octazapentacyclo[12.11.11.03,11.04,9.016,20]hexatriaconta-3(11),4,6,8-tetraene-15,21,24,26,29,32,35-heptone
Names & synonyms
Pro-4-norphalloin40290-20-8RefChem:1096619Pro(sup 4)-norphalloinNorphalloin, 4-L-proline-BRN 5418233cyclic(L-Alanyl-D-threonyl-L-cysteinyl-L-prolyl-L-alanyl-2-mercapto-L- tryptophyl-L-norvalyl) cyclic (3-6)-sulfide
Database identifiers
- CAS
40290-20-8- PubChem CID
- 198213
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 256 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,370
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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