Lissoclinamide 7
Basic information
- CAS
126297-39-0- Standard SMILES
CC(C)[C@H]1NC(=O)[C@H]2N=C(O[C@@H]2C)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSC(=N2)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CSC1=N2- InChIKey
RBBBWKUBQVARPL-SWQMWMPHSA-N- Molecular formula
- C38H45N7O5S2
- Average molar mass
- 743.9 g/mol
- Monoisotopic mass
- 743.29235991
Overview
Lissoclinamide 7 has been reported in Lissoclinum patella and Prochloron with data available.
Names & identifiers
- Preferred name
- Lissoclinamide 7
- IUPAC
- (2S,8S,11R,15R,18R,22R,25S,26R)-8,15-dibenzyl-26-methyl-22-propan-2-yl-27-oxa-13,20-dithia-6,9,16,23,28,29,30-heptazapentacyclo[23.2.1.111,14.118,21.02,6]triaconta-1(28),14(30),21(29)-triene-7,10,17,24-tetrone
- English name
- lissoclinamide 7
- Molecular formula
- C38H45N7O5S2
- Molecular weight
- 743.94
Names & synonyms
Lissoclinamide 7126297-39-0(2S,8S,11R,15R,18R,22R,25S,26R)-8,15-dibenzyl-26-methyl-22-propan-2-yl-27-oxa-13,20-dithia-6,9,16,23,28,29,30-heptazapentacyclo[23.2.1.111,14.118,21.02,6]triaconta-1(28),14(30),21(29)-triene-7,10,17,24-tetrone(2S,8S,11R,15R,18R,22R,25S,26R)-8,15-dibenzyl-26-methyl-22-propan-2-yl-27-oxa-13,20-dithia-6,9,16,23,28,29,30-heptazapentacyclo(23.2.1.111,14.118,21.02,6)triaconta-1(28),14(30),21(29)-triene-7,10,17,24-tetroneRefChem:153672(3R,4S,7R,11R,14R,18R,21S,26aS)-6,7,13,14,17,18,20,21,24,25,26,26a-Dodecahydro-3-methyl-7-(1-methylethyl)-14,21-bis(phenylmethyl)-3H,10H-4,1:11,8:18,15-trinitrilo-1H-pyrrolo(2,1-c)(1,11,18,4,7,14,21)oxadithiatetraazacyclotetracosine-5,12,19,22(4H,11H)-tetrone8,15-dibenzyl-26-methyl-22-propan-2-yl-27-oxa-13,20-dithia-6,9,16,23,28,29,30-heptazapentacyclo(23.2.1.111,14.118,21.02,6)triaconta-1(28),14(30),21(29)-triene-7,10,17,24-tetroneLissoclimamide(3xi,7xi,14xi,21xi)-14-Dimethyl-7-de(1-methylpropyl)-10,11,17,18-tetrahydro-7-(1-methylethyl)-14-(phenylmethyl)ulicyclamideUlicyclamide, 7-de(1-methylpropyl)-10,11,17,18-tetrahydro-7-(1-methylethyl)-36-phenyl-, (3xi,7xi,14xi,21xi)-
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 205 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,460
Physicochemical properties
- Boiling point
- 1017.3 · 1017.3±65.0 °C(Predicted)
- Density
- 1.47 · 1.47±0.1 g/cm3(Predicted)
- pka
- 12.19 · 12.19±0.70(Predicted)
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